SimRNA (c) 2009-2024 Genesilico, ver. 3.33 Replica Exchange Monte Carlo Method is SWITCHED ON 10 replicas were ordered .reading parameteres setting random seed = 1 initiating replica nr: 1 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D2_RNA-6d2cf23a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D2_RNA-6d2cf23a/inputs/seq.fa: 1 curr_seq: _AUGACUGUGUCUCAUGCGAAGUUUUUUAGUUGGUAUGCUCCUACAGGCUCGUCUGUGAGGUUGUGGUCCUGCUGGGCUCGUCGUCUAUUUUCGUGGGUGUUUGGUAGGGCCACAUCUUCGUGGUCUUCGGUAUCACCAUUCAGUAACUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGACUGUGUCUCAUGCGAAGUUUUUUAGUUGGUAUGCUCCUACAGGCUCGUCUGUGAGGUUGUGGUCCUGCUGGGCUCGUCGUCUAUUUUCGUGGGUGUUUGGUAGGGCCACAUCUUCGUGGUCUUCGGUAUCACCAUUCAGUAACUAA RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 150 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 755 n_atoms_counter: 755 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 150.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 0.900 successfully initiated initiating replica nr: 2 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D2_RNA-6d2cf23a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D2_RNA-6d2cf23a/inputs/seq.fa: 1 curr_seq: _AUGACUGUGUCUCAUGCGAAGUUUUUUAGUUGGUAUGCUCCUACAGGCUCGUCUGUGAGGUUGUGGUCCUGCUGGGCUCGUCGUCUAUUUUCGUGGGUGUUUGGUAGGGCCACAUCUUCGUGGUCUUCGGUAUCACCAUUCAGUAACUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGACUGUGUCUCAUGCGAAGUUUUUUAGUUGGUAUGCUCCUACAGGCUCGUCUGUGAGGUUGUGGUCCUGCUGGGCUCGUCGUCUAUUUUCGUGGGUGUUUGGUAGGGCCACAUCUUCGUGGUCUUCGGUAUCACCAUUCAGUAACUAA RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 150 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 755 n_atoms_counter: 755 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 150.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 0.950 successfully initiated initiating replica nr: 3 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D2_RNA-6d2cf23a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D2_RNA-6d2cf23a/inputs/seq.fa: 1 curr_seq: _AUGACUGUGUCUCAUGCGAAGUUUUUUAGUUGGUAUGCUCCUACAGGCUCGUCUGUGAGGUUGUGGUCCUGCUGGGCUCGUCGUCUAUUUUCGUGGGUGUUUGGUAGGGCCACAUCUUCGUGGUCUUCGGUAUCACCAUUCAGUAACUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGACUGUGUCUCAUGCGAAGUUUUUUAGUUGGUAUGCUCCUACAGGCUCGUCUGUGAGGUUGUGGUCCUGCUGGGCUCGUCGUCUAUUUUCGUGGGUGUUUGGUAGGGCCACAUCUUCGUGGUCUUCGGUAUCACCAUUCAGUAACUAA RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 150 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 755 n_atoms_counter: 755 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 150.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.000 successfully initiated initiating replica nr: 4 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D2_RNA-6d2cf23a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D2_RNA-6d2cf23a/inputs/seq.fa: 1 curr_seq: _AUGACUGUGUCUCAUGCGAAGUUUUUUAGUUGGUAUGCUCCUACAGGCUCGUCUGUGAGGUUGUGGUCCUGCUGGGCUCGUCGUCUAUUUUCGUGGGUGUUUGGUAGGGCCACAUCUUCGUGGUCUUCGGUAUCACCAUUCAGUAACUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGACUGUGUCUCAUGCGAAGUUUUUUAGUUGGUAUGCUCCUACAGGCUCGUCUGUGAGGUUGUGGUCCUGCUGGGCUCGUCGUCUAUUUUCGUGGGUGUUUGGUAGGGCCACAUCUUCGUGGUCUUCGGUAUCACCAUUCAGUAACUAA RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 150 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 755 n_atoms_counter: 755 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 150.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.050 successfully initiated initiating replica nr: 5 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D2_RNA-6d2cf23a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D2_RNA-6d2cf23a/inputs/seq.fa: 1 curr_seq: _AUGACUGUGUCUCAUGCGAAGUUUUUUAGUUGGUAUGCUCCUACAGGCUCGUCUGUGAGGUUGUGGUCCUGCUGGGCUCGUCGUCUAUUUUCGUGGGUGUUUGGUAGGGCCACAUCUUCGUGGUCUUCGGUAUCACCAUUCAGUAACUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGACUGUGUCUCAUGCGAAGUUUUUUAGUUGGUAUGCUCCUACAGGCUCGUCUGUGAGGUUGUGGUCCUGCUGGGCUCGUCGUCUAUUUUCGUGGGUGUUUGGUAGGGCCACAUCUUCGUGGUCUUCGGUAUCACCAUUCAGUAACUAA RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 150 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 755 n_atoms_counter: 755 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 150.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.100 successfully initiated initiating replica nr: 6 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D2_RNA-6d2cf23a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D2_RNA-6d2cf23a/inputs/seq.fa: 1 curr_seq: _AUGACUGUGUCUCAUGCGAAGUUUUUUAGUUGGUAUGCUCCUACAGGCUCGUCUGUGAGGUUGUGGUCCUGCUGGGCUCGUCGUCUAUUUUCGUGGGUGUUUGGUAGGGCCACAUCUUCGUGGUCUUCGGUAUCACCAUUCAGUAACUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGACUGUGUCUCAUGCGAAGUUUUUUAGUUGGUAUGCUCCUACAGGCUCGUCUGUGAGGUUGUGGUCCUGCUGGGCUCGUCGUCUAUUUUCGUGGGUGUUUGGUAGGGCCACAUCUUCGUGGUCUUCGGUAUCACCAUUCAGUAACUAA RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 150 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 755 n_atoms_counter: 755 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 150.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.150 successfully initiated initiating replica nr: 7 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D2_RNA-6d2cf23a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D2_RNA-6d2cf23a/inputs/seq.fa: 1 curr_seq: _AUGACUGUGUCUCAUGCGAAGUUUUUUAGUUGGUAUGCUCCUACAGGCUCGUCUGUGAGGUUGUGGUCCUGCUGGGCUCGUCGUCUAUUUUCGUGGGUGUUUGGUAGGGCCACAUCUUCGUGGUCUUCGGUAUCACCAUUCAGUAACUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGACUGUGUCUCAUGCGAAGUUUUUUAGUUGGUAUGCUCCUACAGGCUCGUCUGUGAGGUUGUGGUCCUGCUGGGCUCGUCGUCUAUUUUCGUGGGUGUUUGGUAGGGCCACAUCUUCGUGGUCUUCGGUAUCACCAUUCAGUAACUAA RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 150 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 755 n_atoms_counter: 755 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 150.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.200 successfully initiated initiating replica nr: 8 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D2_RNA-6d2cf23a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D2_RNA-6d2cf23a/inputs/seq.fa: 1 curr_seq: _AUGACUGUGUCUCAUGCGAAGUUUUUUAGUUGGUAUGCUCCUACAGGCUCGUCUGUGAGGUUGUGGUCCUGCUGGGCUCGUCGUCUAUUUUCGUGGGUGUUUGGUAGGGCCACAUCUUCGUGGUCUUCGGUAUCACCAUUCAGUAACUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGACUGUGUCUCAUGCGAAGUUUUUUAGUUGGUAUGCUCCUACAGGCUCGUCUGUGAGGUUGUGGUCCUGCUGGGCUCGUCGUCUAUUUUCGUGGGUGUUUGGUAGGGCCACAUCUUCGUGGUCUUCGGUAUCACCAUUCAGUAACUAA RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 150 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 755 n_atoms_counter: 755 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 150.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.250 successfully initiated initiating replica nr: 9 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D2_RNA-6d2cf23a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D2_RNA-6d2cf23a/inputs/seq.fa: 1 curr_seq: _AUGACUGUGUCUCAUGCGAAGUUUUUUAGUUGGUAUGCUCCUACAGGCUCGUCUGUGAGGUUGUGGUCCUGCUGGGCUCGUCGUCUAUUUUCGUGGGUGUUUGGUAGGGCCACAUCUUCGUGGUCUUCGGUAUCACCAUUCAGUAACUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGACUGUGUCUCAUGCGAAGUUUUUUAGUUGGUAUGCUCCUACAGGCUCGUCUGUGAGGUUGUGGUCCUGCUGGGCUCGUCGUCUAUUUUCGUGGGUGUUUGGUAGGGCCACAUCUUCGUGGUCUUCGGUAUCACCAUUCAGUAACUAA RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 150 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 755 n_atoms_counter: 755 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 150.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.300 successfully initiated initiating replica nr: 10 before entireStruct->initialize(input) file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D2_RNA-6d2cf23a/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/D2_RNA-6d2cf23a/inputs/seq.fa: 1 curr_seq: _AUGACUGUGUCUCAUGCGAAGUUUUUUAGUUGGUAUGCUCCUACAGGCUCGUCUGUGAGGUUGUGGUCCUGCUGGGCUCGUCGUCUAUUUUCGUGGGUGUUUGGUAGGGCCACAUCUUCGUGGUCUUCGGUAUCACCAUUCAGUAACUAA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: AUGACUGUGUCUCAUGCGAAGUUUUUUAGUUGGUAUGCUCCUACAGGCUCGUCUGUGAGGUUGUGGUCCUGCUGGGCUCGUCGUCUAUUUUCGUGGGUGUUUGGUAGGGCCACAUCUUCGUGGUCUUCGGUAUCACCAUUCAGUAACUAA RNAStructure(struct InputParam): Fraction Of One Atom Moves = 0.450000 RNAStructure(struct InputParam): Fraction Of Two Atoms Moves = 0.440000 RNAStructure(struct InputParam): Fraction Of Fragment Moves = 0.010000 RNAStructure(struct InputParam): Fraction Of Nitrogen Atom Moves = 0.100000 RNAStructure(struct InputParam): Fraction Of Rigid Rotation Moves = 0.000000 RNAStructure(struct InputParam): Fraction Of Rigid Translation Moves = 0.000000 RNA chains: chain A contains 150 nucleotides loading histrogram: ./data/rna/dist_PC.data.new_hist assigned_name: dist_PC.data.new_hist DONE loading histrogram: ./data/rna/dist_CP.data.new_hist assigned_name: dist_CP.data.new_hist DONE loading histrogram: ./data/rna/angle_PCP.data.new_hist assigned_name: angle_PCP.data.new_hist DONE loading histrogram: ./data/rna/angle_CPC.data.new_hist assigned_name: angle_CPC.data.new_hist DONE loading histrogram: ./data/rna/eta_theta.data.new_hist assigned_name: eta_theta.data.new_hist DONE reweighting term eta_theta by 0.400000, default value scaling: histogram eta_theta.data.new_hist was multiplied by 0.400000 eta-theta term was reweighted by factor 0.400000 provided by the user reading conformers file: ./data/rna/A_conformers n_lines: 4766 16 15 69 34 27 46 26 156 83 35 93 127 1269 89 50 187 157 1927 88 75 51 22 67 25 32 DONE reading conformers file: ./data/rna/C_conformers n_lines: 5164 7 8 61 17 4 14 12 143 49 12 23 140 2110 21 24 88 101 2101 19 36 25 21 108 8 12 DONE reading conformers file: ./data/rna/G_conformers n_lines: 6375 11 7 79 21 50 20 17 175 54 39 42 102 2774 90 34 61 94 2314 71 100 20 22 142 15 21 DONE reading conformers file: ./data/rna/U_conformers n_lines: 3617 6 6 43 33 24 20 20 131 50 28 30 58 1412 30 24 64 82 1197 31 32 71 36 132 13 44 DONE loading histrogram: ./data/rna/AA3.hist assigned_name: AA3.hist DONE loading histrogram: ./data/rna/AC3.hist assigned_name: AC3.hist DONE loading histrogram: ./data/rna/AG3.hist assigned_name: AG3.hist DONE loading histrogram: ./data/rna/AU3.hist assigned_name: AU3.hist DONE loading histrogram: ./data/rna/CA3.hist assigned_name: CA3.hist DONE loading histrogram: ./data/rna/CC3.hist assigned_name: CC3.hist DONE loading histrogram: ./data/rna/CG3.hist assigned_name: CG3.hist DONE loading histrogram: ./data/rna/CU3.hist assigned_name: CU3.hist DONE loading histrogram: ./data/rna/GA3.hist assigned_name: GA3.hist DONE loading histrogram: ./data/rna/GC3.hist assigned_name: GC3.hist DONE loading histrogram: ./data/rna/GG3.hist assigned_name: GG3.hist DONE loading histrogram: ./data/rna/GU3.hist assigned_name: GU3.hist DONE loading histrogram: ./data/rna/UA3.hist assigned_name: UA3.hist DONE loading histrogram: ./data/rna/UC3.hist assigned_name: UC3.hist DONE loading histrogram: ./data/rna/UG3.hist assigned_name: UG3.hist DONE loading histrogram: ./data/rna/UU3.hist assigned_name: UU3.hist DONE loading histrogram: ./data/rna/AU3_WW-repulsive.hist assigned_name: AU3_WW-repulsive.hist DONE scaling: histogram AU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/CG3_WW-repulsive.hist assigned_name: CG3_WW-repulsive.hist DONE scaling: histogram CG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GC3_WW-repulsive.hist assigned_name: GC3_WW-repulsive.hist DONE scaling: histogram GC3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/GU3_WW-repulsive.hist assigned_name: GU3_WW-repulsive.hist DONE scaling: histogram GU3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UA3_WW-repulsive.hist assigned_name: UA3_WW-repulsive.hist DONE scaling: histogram UA3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/UG3_WW-repulsive.hist assigned_name: UG3_WW-repulsive.hist DONE scaling: histogram UG3_WW-repulsive.hist was multiplied by -1.000000 loading histrogram: ./data/rna/A-C4_3.hist assigned_name: A-C4_3.hist DONE loading histrogram: ./data/rna/C-C4_3.hist assigned_name: C-C4_3.hist DONE loading histrogram: ./data/rna/G-C4_3.hist assigned_name: G-C4_3.hist DONE loading histrogram: ./data/rna/U-C4_3.hist assigned_name: U-C4_3.hist DONE loading histrogram: ./data/rna/A-P_3.hist assigned_name: A-P_3.hist DONE loading histrogram: ./data/rna/C-P_3.hist assigned_name: C-P_3.hist DONE loading histrogram: ./data/rna/G-P_3.hist assigned_name: G-P_3.hist DONE loading histrogram: ./data/rna/U-P_3.hist assigned_name: U-P_3.hist DONE loading histrogram: ./data/rna/A_3_exvol.hist assigned_name: A_3_exvol.hist DONE scaling: histogram A_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/C_3_exvol.hist assigned_name: C_3_exvol.hist DONE scaling: histogram C_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/G_3_exvol.hist assigned_name: G_3_exvol.hist DONE scaling: histogram G_3_exvol.hist was multiplied by 0.100000 loading histrogram: ./data/rna/U_3_exvol.hist assigned_name: U_3_exvol.hist DONE scaling: histogram U_3_exvol.hist was multiplied by 0.100000 x_protein_frc: 0.000 x_rna_frc: 1.000 int EntireStructure::calcNumberOfAtoms(): numberOfAtoms: 755 n_atoms_counter: 755 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 150.000000 DONE before calcCenterOfMass(); after calcCenterOfMass(); before calcTotalEnergy(); after calcTotalEnergy(); after entireStruct->initialize(input) leaving: void SimulatedAnnealing::chooseTypeOfChain(struct InputParam input) number of iterations = 8000000 trajectory write in every 16000 iterations after each trajectory write attempt of changing replicas will be done replica Temperature = 1.350 successfully initiated .calculating program compiled for parallel execution of replicas in Replica Exchange MC method program can utilize maximum as many CPU cores as replicas, in this case: 10 ================================== temp. level: 1, replica: 1 ===================================== Write number: 1 Temperature: 0.900000 Total energy: -599.575303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.575303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.575303 (E_RNA) where: Base-Base interactions energy: -15.628 where: short stacking energy: -15.628 Base-Backbone interact. energy: -0.000 local terms energy: -583.947120 where: bonds (distance) C4'-P energy: -145.737 bonds (distance) P-C4' energy: -135.092 flat angles C4'-P-C4' energy: -110.134 flat angles P-C4'-P energy: -125.981 tors. eta vs tors. theta energy: -67.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -599.575303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.575303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.575303 (E_RNA) where: Base-Base interactions energy: -15.628 where: short stacking energy: -15.628 Base-Backbone interact. energy: -0.000 local terms energy: -583.947120 where: bonds (distance) C4'-P energy: -145.737 bonds (distance) P-C4' energy: -135.092 flat angles C4'-P-C4' energy: -110.134 flat angles P-C4'-P energy: -125.981 tors. eta vs tors. theta energy: -67.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -599.575303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.575303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.575303 (E_RNA) where: Base-Base interactions energy: -15.628 where: short stacking energy: -15.628 Base-Backbone interact. energy: -0.000 local terms energy: -583.947120 where: bonds (distance) C4'-P energy: -145.737 bonds (distance) P-C4' energy: -135.092 flat angles C4'-P-C4' energy: -110.134 flat angles P-C4'-P energy: -125.981 tors. eta vs tors. theta energy: -67.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -599.575303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.575303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.575303 (E_RNA) where: Base-Base interactions energy: -15.628 where: short stacking energy: -15.628 Base-Backbone interact. energy: -0.000 local terms energy: -583.947120 where: bonds (distance) C4'-P energy: -145.737 bonds (distance) P-C4' energy: -135.092 flat angles C4'-P-C4' energy: -110.134 flat angles P-C4'-P energy: -125.981 tors. eta vs tors. theta energy: -67.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -599.575303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.575303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.575303 (E_RNA) where: Base-Base interactions energy: -15.628 where: short stacking energy: -15.628 Base-Backbone interact. energy: -0.000 local terms energy: -583.947120 where: bonds (distance) C4'-P energy: -145.737 bonds (distance) P-C4' energy: -135.092 flat angles C4'-P-C4' energy: -110.134 flat angles P-C4'-P energy: -125.981 tors. eta vs tors. theta energy: -67.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -599.575303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.575303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.575303 (E_RNA) where: Base-Base interactions energy: -15.628 where: short stacking energy: -15.628 Base-Backbone interact. energy: -0.000 local terms energy: -583.947120 where: bonds (distance) C4'-P energy: -145.737 bonds (distance) P-C4' energy: -135.092 flat angles C4'-P-C4' energy: -110.134 flat angles P-C4'-P energy: -125.981 tors. eta vs tors. theta energy: -67.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -599.575303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.575303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.575303 (E_RNA) where: Base-Base interactions energy: -15.628 where: short stacking energy: -15.628 Base-Backbone interact. energy: -0.000 local terms energy: -583.947120 where: bonds (distance) C4'-P energy: -145.737 bonds (distance) P-C4' energy: -135.092 flat angles C4'-P-C4' energy: -110.134 flat angles P-C4'-P energy: -125.981 tors. eta vs tors. theta energy: -67.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -599.575303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.575303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.575303 (E_RNA) where: Base-Base interactions energy: -15.628 where: short stacking energy: -15.628 Base-Backbone interact. energy: -0.000 local terms energy: -583.947120 where: bonds (distance) C4'-P energy: -145.737 bonds (distance) P-C4' energy: -135.092 flat angles C4'-P-C4' energy: -110.134 flat angles P-C4'-P energy: -125.981 tors. eta vs tors. theta energy: -67.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -599.575303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.575303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.575303 (E_RNA) where: Base-Base interactions energy: -15.628 where: short stacking energy: -15.628 Base-Backbone interact. energy: -0.000 local terms energy: -583.947120 where: bonds (distance) C4'-P energy: -145.737 bonds (distance) P-C4' energy: -135.092 flat angles C4'-P-C4' energy: -110.134 flat angles P-C4'-P energy: -125.981 tors. eta vs tors. theta energy: -67.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -599.575303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.575303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.575303 (E_RNA) where: Base-Base interactions energy: -15.628 where: short stacking energy: -15.628 Base-Backbone interact. energy: -0.000 local terms energy: -583.947120 where: bonds (distance) C4'-P energy: -145.737 bonds (distance) P-C4' energy: -135.092 flat angles C4'-P-C4' energy: -110.134 flat angles P-C4'-P energy: -125.981 tors. eta vs tors. theta energy: -67.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -750.598731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.598731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.598731 (E_RNA) where: Base-Base interactions energy: -316.074 where: short stacking energy: -315.463 Base-Backbone interact. energy: -0.156 local terms energy: -434.368826 where: bonds (distance) C4'-P energy: -99.817 bonds (distance) P-C4' energy: -104.011 flat angles C4'-P-C4' energy: -93.134 flat angles P-C4'-P energy: -61.993 tors. eta vs tors. theta energy: -75.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -733.416459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.416459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.416459 (E_RNA) where: Base-Base interactions energy: -318.131 where: short stacking energy: -311.514 Base-Backbone interact. energy: 0.013 local terms energy: -415.298554 where: bonds (distance) C4'-P energy: -82.461 bonds (distance) P-C4' energy: -101.385 flat angles C4'-P-C4' energy: -85.113 flat angles P-C4'-P energy: -68.349 tors. eta vs tors. theta energy: -77.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -665.502706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.502706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.502706 (E_RNA) where: Base-Base interactions energy: -284.565 where: short stacking energy: -282.285 Base-Backbone interact. energy: 0.241 local terms energy: -381.178191 where: bonds (distance) C4'-P energy: -95.490 bonds (distance) P-C4' energy: -94.727 flat angles C4'-P-C4' energy: -85.491 flat angles P-C4'-P energy: -49.818 tors. eta vs tors. theta energy: -55.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -686.191887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.191887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.191887 (E_RNA) where: Base-Base interactions energy: -314.890 where: short stacking energy: -266.821 Base-Backbone interact. energy: 2.216 local terms energy: -373.518591 where: bonds (distance) C4'-P energy: -93.117 bonds (distance) P-C4' energy: -88.622 flat angles C4'-P-C4' energy: -93.335 flat angles P-C4'-P energy: -39.850 tors. eta vs tors. theta energy: -58.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -612.016623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.016623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.016623 (E_RNA) where: Base-Base interactions energy: -123.872 where: short stacking energy: -123.872 Base-Backbone interact. energy: -0.000 local terms energy: -488.144340 where: bonds (distance) C4'-P energy: -98.161 bonds (distance) P-C4' energy: -92.008 flat angles C4'-P-C4' energy: -113.699 flat angles P-C4'-P energy: -109.947 tors. eta vs tors. theta energy: -74.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -600.021043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.021043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.021043 (E_RNA) where: Base-Base interactions energy: -17.431 where: short stacking energy: -17.431 Base-Backbone interact. energy: -0.000 local terms energy: -582.590085 where: bonds (distance) C4'-P energy: -145.281 bonds (distance) P-C4' energy: -134.389 flat angles C4'-P-C4' energy: -109.483 flat angles P-C4'-P energy: -125.729 tors. eta vs tors. theta energy: -67.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -600.719048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.719048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.719048 (E_RNA) where: Base-Base interactions energy: -18.112 where: short stacking energy: -18.112 Base-Backbone interact. energy: -0.000 local terms energy: -582.606745 where: bonds (distance) C4'-P energy: -145.281 bonds (distance) P-C4' energy: -134.389 flat angles C4'-P-C4' energy: -109.483 flat angles P-C4'-P energy: -125.766 tors. eta vs tors. theta energy: -67.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -607.707657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.707657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.707657 (E_RNA) where: Base-Base interactions energy: -89.329 where: short stacking energy: -89.329 Base-Backbone interact. energy: -0.000 local terms energy: -518.378754 where: bonds (distance) C4'-P energy: -109.815 bonds (distance) P-C4' energy: -109.907 flat angles C4'-P-C4' energy: -113.177 flat angles P-C4'-P energy: -113.817 tors. eta vs tors. theta energy: -71.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -599.830525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.830525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.830525 (E_RNA) where: Base-Base interactions energy: -18.112 where: short stacking energy: -18.112 Base-Backbone interact. energy: -0.000 local terms energy: -581.718496 where: bonds (distance) C4'-P energy: -144.756 bonds (distance) P-C4' energy: -134.385 flat angles C4'-P-C4' energy: -109.519 flat angles P-C4'-P energy: -125.709 tors. eta vs tors. theta energy: -67.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -598.029305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.029305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.029305 (E_RNA) where: Base-Base interactions energy: -19.001 where: short stacking energy: -19.001 Base-Backbone interact. energy: -0.000 local terms energy: -579.028566 where: bonds (distance) C4'-P energy: -144.284 bonds (distance) P-C4' energy: -132.360 flat angles C4'-P-C4' energy: -109.867 flat angles P-C4'-P energy: -125.198 tors. eta vs tors. theta energy: -67.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -840.035708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.035708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.035708 (E_RNA) where: Base-Base interactions energy: -389.628 where: short stacking energy: -351.588 Base-Backbone interact. energy: -2.269 local terms energy: -448.138151 where: bonds (distance) C4'-P energy: -92.648 bonds (distance) P-C4' energy: -100.780 flat angles C4'-P-C4' energy: -102.533 flat angles P-C4'-P energy: -62.054 tors. eta vs tors. theta energy: -90.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -782.897474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.897474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.897474 (E_RNA) where: Base-Base interactions energy: -357.982 where: short stacking energy: -314.559 Base-Backbone interact. energy: -0.766 local terms energy: -424.148988 where: bonds (distance) C4'-P energy: -77.265 bonds (distance) P-C4' energy: -97.801 flat angles C4'-P-C4' energy: -110.723 flat angles P-C4'-P energy: -61.072 tors. eta vs tors. theta energy: -77.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -757.544651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.544651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.544651 (E_RNA) where: Base-Base interactions energy: -334.863 where: short stacking energy: -287.630 Base-Backbone interact. energy: -1.632 local terms energy: -421.049269 where: bonds (distance) C4'-P energy: -102.751 bonds (distance) P-C4' energy: -99.553 flat angles C4'-P-C4' energy: -83.256 flat angles P-C4'-P energy: -66.693 tors. eta vs tors. theta energy: -68.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -701.333975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.333975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.333975 (E_RNA) where: Base-Base interactions energy: -320.003 where: short stacking energy: -247.878 Base-Backbone interact. energy: -0.974 local terms energy: -380.356888 where: bonds (distance) C4'-P energy: -90.719 bonds (distance) P-C4' energy: -101.838 flat angles C4'-P-C4' energy: -89.419 flat angles P-C4'-P energy: -49.634 tors. eta vs tors. theta energy: -48.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -623.143443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.143443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.143443 (E_RNA) where: Base-Base interactions energy: -293.448 where: short stacking energy: -231.240 Base-Backbone interact. energy: -0.979 local terms energy: -328.716515 where: bonds (distance) C4'-P energy: -75.231 bonds (distance) P-C4' energy: -95.927 flat angles C4'-P-C4' energy: -83.272 flat angles P-C4'-P energy: -33.777 tors. eta vs tors. theta energy: -40.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -563.899813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.899813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.899813 (E_RNA) where: Base-Base interactions energy: -237.243 where: short stacking energy: -187.054 Base-Backbone interact. energy: 2.042 local terms energy: -328.699533 where: bonds (distance) C4'-P energy: -75.624 bonds (distance) P-C4' energy: -82.738 flat angles C4'-P-C4' energy: -81.602 flat angles P-C4'-P energy: -62.849 tors. eta vs tors. theta energy: -25.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -519.744531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.744531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.744531 (E_RNA) where: Base-Base interactions energy: -227.850 where: short stacking energy: -162.815 Base-Backbone interact. energy: -1.612 local terms energy: -290.282320 where: bonds (distance) C4'-P energy: -72.798 bonds (distance) P-C4' energy: -83.118 flat angles C4'-P-C4' energy: -70.087 flat angles P-C4'-P energy: -48.868 tors. eta vs tors. theta energy: -15.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -494.539407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.539407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.539407 (E_RNA) where: Base-Base interactions energy: -198.686 where: short stacking energy: -176.515 Base-Backbone interact. energy: -0.622 local terms energy: -295.231463 where: bonds (distance) C4'-P energy: -71.860 bonds (distance) P-C4' energy: -88.757 flat angles C4'-P-C4' energy: -80.679 flat angles P-C4'-P energy: -30.010 tors. eta vs tors. theta energy: -23.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -393.355148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.355148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.355148 (E_RNA) where: Base-Base interactions energy: -122.709 where: short stacking energy: -103.348 Base-Backbone interact. energy: -2.280 local terms energy: -268.366041 where: bonds (distance) C4'-P energy: -80.271 bonds (distance) P-C4' energy: -78.960 flat angles C4'-P-C4' energy: -83.106 flat angles P-C4'-P energy: -48.795 tors. eta vs tors. theta energy: 22.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -419.864119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.864119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.864119 (E_RNA) where: Base-Base interactions energy: -139.353 where: short stacking energy: -118.276 Base-Backbone interact. energy: -2.642 local terms energy: -277.869501 where: bonds (distance) C4'-P energy: -70.435 bonds (distance) P-C4' energy: -76.175 flat angles C4'-P-C4' energy: -73.933 flat angles P-C4'-P energy: -49.094 tors. eta vs tors. theta energy: -8.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -909.182009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.182009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.182009 (E_RNA) where: Base-Base interactions energy: -442.085 where: short stacking energy: -353.172 Base-Backbone interact. energy: -0.904 local terms energy: -466.193320 where: bonds (distance) C4'-P energy: -91.646 bonds (distance) P-C4' energy: -105.068 flat angles C4'-P-C4' energy: -102.880 flat angles P-C4'-P energy: -77.201 tors. eta vs tors. theta energy: -89.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -781.863970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.863970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.863970 (E_RNA) where: Base-Base interactions energy: -359.017 where: short stacking energy: -322.642 Base-Backbone interact. energy: 1.472 local terms energy: -424.318779 where: bonds (distance) C4'-P energy: -91.081 bonds (distance) P-C4' energy: -82.510 flat angles C4'-P-C4' energy: -103.645 flat angles P-C4'-P energy: -66.053 tors. eta vs tors. theta energy: -81.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -745.254640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.254640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.254640 (E_RNA) where: Base-Base interactions energy: -330.143 where: short stacking energy: -268.258 Base-Backbone interact. energy: -0.678 local terms energy: -414.433319 where: bonds (distance) C4'-P energy: -97.626 bonds (distance) P-C4' energy: -104.122 flat angles C4'-P-C4' energy: -99.674 flat angles P-C4'-P energy: -59.914 tors. eta vs tors. theta energy: -53.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -721.809183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.809183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.809183 (E_RNA) where: Base-Base interactions energy: -360.302 where: short stacking energy: -278.767 Base-Backbone interact. energy: 0.325 local terms energy: -361.831864 where: bonds (distance) C4'-P energy: -89.592 bonds (distance) P-C4' energy: -90.287 flat angles C4'-P-C4' energy: -76.645 flat angles P-C4'-P energy: -50.754 tors. eta vs tors. theta energy: -54.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -640.564866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.564866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.564866 (E_RNA) where: Base-Base interactions energy: -299.046 where: short stacking energy: -209.431 Base-Backbone interact. energy: -3.813 local terms energy: -337.706279 where: bonds (distance) C4'-P energy: -96.682 bonds (distance) P-C4' energy: -73.106 flat angles C4'-P-C4' energy: -80.003 flat angles P-C4'-P energy: -56.776 tors. eta vs tors. theta energy: -31.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -574.546292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.546292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.546292 (E_RNA) where: Base-Base interactions energy: -240.327 where: short stacking energy: -174.618 Base-Backbone interact. energy: -0.719 local terms energy: -333.499925 where: bonds (distance) C4'-P energy: -80.392 bonds (distance) P-C4' energy: -91.808 flat angles C4'-P-C4' energy: -86.919 flat angles P-C4'-P energy: -54.708 tors. eta vs tors. theta energy: -19.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -565.484122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.484122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.484122 (E_RNA) where: Base-Base interactions energy: -254.593 where: short stacking energy: -181.914 Base-Backbone interact. energy: 0.578 local terms energy: -311.469445 where: bonds (distance) C4'-P energy: -74.770 bonds (distance) P-C4' energy: -92.394 flat angles C4'-P-C4' energy: -78.309 flat angles P-C4'-P energy: -43.786 tors. eta vs tors. theta energy: -22.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -464.729179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.729179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.729179 (E_RNA) where: Base-Base interactions energy: -179.472 where: short stacking energy: -139.765 Base-Backbone interact. energy: -0.985 local terms energy: -284.272409 where: bonds (distance) C4'-P energy: -79.138 bonds (distance) P-C4' energy: -90.539 flat angles C4'-P-C4' energy: -69.380 flat angles P-C4'-P energy: -45.274 tors. eta vs tors. theta energy: 0.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -428.263025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.263025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.263025 (E_RNA) where: Base-Base interactions energy: -174.658 where: short stacking energy: -142.637 Base-Backbone interact. energy: 0.315 local terms energy: -253.919965 where: bonds (distance) C4'-P energy: -63.673 bonds (distance) P-C4' energy: -76.129 flat angles C4'-P-C4' energy: -71.121 flat angles P-C4'-P energy: -34.313 tors. eta vs tors. theta energy: -8.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -376.765563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.765563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.765563 (E_RNA) where: Base-Base interactions energy: -135.056 where: short stacking energy: -120.465 Base-Backbone interact. energy: -3.159 local terms energy: -238.550939 where: bonds (distance) C4'-P energy: -71.351 bonds (distance) P-C4' energy: -76.656 flat angles C4'-P-C4' energy: -66.151 flat angles P-C4'-P energy: -24.895 tors. eta vs tors. theta energy: 0.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -928.402378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.402378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.402378 (E_RNA) where: Base-Base interactions energy: -487.141 where: short stacking energy: -391.609 Base-Backbone interact. energy: 1.900 local terms energy: -443.161772 where: bonds (distance) C4'-P energy: -93.411 bonds (distance) P-C4' energy: -93.381 flat angles C4'-P-C4' energy: -91.160 flat angles P-C4'-P energy: -69.076 tors. eta vs tors. theta energy: -96.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -782.092912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.092912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.092912 (E_RNA) where: Base-Base interactions energy: -369.661 where: short stacking energy: -331.207 Base-Backbone interact. energy: -0.521 local terms energy: -411.910936 where: bonds (distance) C4'-P energy: -88.431 bonds (distance) P-C4' energy: -95.389 flat angles C4'-P-C4' energy: -94.347 flat angles P-C4'-P energy: -61.443 tors. eta vs tors. theta energy: -72.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -808.029505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.029505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.029505 (E_RNA) where: Base-Base interactions energy: -407.944 where: short stacking energy: -281.419 Base-Backbone interact. energy: -0.976 local terms energy: -399.109608 where: bonds (distance) C4'-P energy: -90.274 bonds (distance) P-C4' energy: -98.742 flat angles C4'-P-C4' energy: -94.790 flat angles P-C4'-P energy: -58.211 tors. eta vs tors. theta energy: -57.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -732.017633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.017633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.017633 (E_RNA) where: Base-Base interactions energy: -377.930 where: short stacking energy: -243.434 Base-Backbone interact. energy: 2.493 local terms energy: -356.580645 where: bonds (distance) C4'-P energy: -70.379 bonds (distance) P-C4' energy: -86.905 flat angles C4'-P-C4' energy: -98.971 flat angles P-C4'-P energy: -62.281 tors. eta vs tors. theta energy: -38.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -658.580518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.580518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.580518 (E_RNA) where: Base-Base interactions energy: -320.685 where: short stacking energy: -242.750 Base-Backbone interact. energy: -0.269 local terms energy: -337.626648 where: bonds (distance) C4'-P energy: -86.292 bonds (distance) P-C4' energy: -81.760 flat angles C4'-P-C4' energy: -83.057 flat angles P-C4'-P energy: -48.587 tors. eta vs tors. theta energy: -37.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -590.289673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.289673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.289673 (E_RNA) where: Base-Base interactions energy: -259.667 where: short stacking energy: -196.211 Base-Backbone interact. energy: -2.973 local terms energy: -327.649088 where: bonds (distance) C4'-P energy: -87.838 bonds (distance) P-C4' energy: -82.367 flat angles C4'-P-C4' energy: -94.244 flat angles P-C4'-P energy: -38.500 tors. eta vs tors. theta energy: -24.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -673.587654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.587654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.587654 (E_RNA) where: Base-Base interactions energy: -348.853 where: short stacking energy: -208.535 Base-Backbone interact. energy: -0.390 local terms energy: -324.344948 where: bonds (distance) C4'-P energy: -82.965 bonds (distance) P-C4' energy: -88.552 flat angles C4'-P-C4' energy: -72.231 flat angles P-C4'-P energy: -48.045 tors. eta vs tors. theta energy: -32.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -501.442499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.442499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.442499 (E_RNA) where: Base-Base interactions energy: -209.413 where: short stacking energy: -159.040 Base-Backbone interact. energy: -2.528 local terms energy: -289.501026 where: bonds (distance) C4'-P energy: -74.409 bonds (distance) P-C4' energy: -76.280 flat angles C4'-P-C4' energy: -81.016 flat angles P-C4'-P energy: -54.697 tors. eta vs tors. theta energy: -3.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -406.594539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.594539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.594539 (E_RNA) where: Base-Base interactions energy: -164.947 where: short stacking energy: -138.177 Base-Backbone interact. energy: 3.276 local terms energy: -244.923620 where: bonds (distance) C4'-P energy: -67.701 bonds (distance) P-C4' energy: -88.802 flat angles C4'-P-C4' energy: -59.461 flat angles P-C4'-P energy: -26.833 tors. eta vs tors. theta energy: -2.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -398.701580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.701580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.701580 (E_RNA) where: Base-Base interactions energy: -125.567 where: short stacking energy: -100.893 Base-Backbone interact. energy: -2.467 local terms energy: -270.667024 where: bonds (distance) C4'-P energy: -70.888 bonds (distance) P-C4' energy: -79.819 flat angles C4'-P-C4' energy: -80.580 flat angles P-C4'-P energy: -52.879 tors. eta vs tors. theta energy: 13.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -943.577241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.577241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.577241 (E_RNA) where: Base-Base interactions energy: -496.445 where: short stacking energy: -368.967 Base-Backbone interact. energy: -2.540 local terms energy: -444.592253 where: bonds (distance) C4'-P energy: -100.233 bonds (distance) P-C4' energy: -96.091 flat angles C4'-P-C4' energy: -102.565 flat angles P-C4'-P energy: -64.659 tors. eta vs tors. theta energy: -81.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -752.320494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.320494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.320494 (E_RNA) where: Base-Base interactions energy: -375.397 where: short stacking energy: -269.993 Base-Backbone interact. energy: 2.769 local terms energy: -379.692299 where: bonds (distance) C4'-P energy: -88.715 bonds (distance) P-C4' energy: -98.510 flat angles C4'-P-C4' energy: -93.203 flat angles P-C4'-P energy: -45.801 tors. eta vs tors. theta energy: -53.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -797.564684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.564684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.564684 (E_RNA) where: Base-Base interactions energy: -412.979 where: short stacking energy: -284.263 Base-Backbone interact. energy: -0.879 local terms energy: -383.705955 where: bonds (distance) C4'-P energy: -84.124 bonds (distance) P-C4' energy: -99.545 flat angles C4'-P-C4' energy: -94.216 flat angles P-C4'-P energy: -51.490 tors. eta vs tors. theta energy: -54.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -724.093427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.093427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.093427 (E_RNA) where: Base-Base interactions energy: -371.952 where: short stacking energy: -243.340 Base-Backbone interact. energy: -2.981 local terms energy: -349.160000 where: bonds (distance) C4'-P energy: -71.397 bonds (distance) P-C4' energy: -90.515 flat angles C4'-P-C4' energy: -88.749 flat angles P-C4'-P energy: -57.278 tors. eta vs tors. theta energy: -41.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -729.175307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.175307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.175307 (E_RNA) where: Base-Base interactions energy: -369.879 where: short stacking energy: -241.596 Base-Backbone interact. energy: 1.512 local terms energy: -360.808271 where: bonds (distance) C4'-P energy: -83.872 bonds (distance) P-C4' energy: -80.950 flat angles C4'-P-C4' energy: -97.481 flat angles P-C4'-P energy: -56.882 tors. eta vs tors. theta energy: -41.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -593.831042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.831042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.831042 (E_RNA) where: Base-Base interactions energy: -278.026 where: short stacking energy: -184.219 Base-Backbone interact. energy: -1.431 local terms energy: -314.373968 where: bonds (distance) C4'-P energy: -79.892 bonds (distance) P-C4' energy: -88.290 flat angles C4'-P-C4' energy: -74.485 flat angles P-C4'-P energy: -49.663 tors. eta vs tors. theta energy: -22.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -624.737604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.737604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.737604 (E_RNA) where: Base-Base interactions energy: -308.582 where: short stacking energy: -199.281 Base-Backbone interact. energy: -1.719 local terms energy: -314.435961 where: bonds (distance) C4'-P energy: -69.061 bonds (distance) P-C4' energy: -85.200 flat angles C4'-P-C4' energy: -81.857 flat angles P-C4'-P energy: -45.871 tors. eta vs tors. theta energy: -32.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -512.193299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.193299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.193299 (E_RNA) where: Base-Base interactions energy: -222.640 where: short stacking energy: -152.126 Base-Backbone interact. energy: -0.031 local terms energy: -289.522784 where: bonds (distance) C4'-P energy: -76.104 bonds (distance) P-C4' energy: -82.239 flat angles C4'-P-C4' energy: -74.358 flat angles P-C4'-P energy: -51.153 tors. eta vs tors. theta energy: -5.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -407.000468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.000468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.000468 (E_RNA) where: Base-Base interactions energy: -164.110 where: short stacking energy: -145.084 Base-Backbone interact. energy: -2.107 local terms energy: -240.783510 where: bonds (distance) C4'-P energy: -69.284 bonds (distance) P-C4' energy: -62.232 flat angles C4'-P-C4' energy: -71.840 flat angles P-C4'-P energy: -35.640 tors. eta vs tors. theta energy: -1.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -385.531665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.531665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.531665 (E_RNA) where: Base-Base interactions energy: -140.345 where: short stacking energy: -127.575 Base-Backbone interact. energy: 2.339 local terms energy: -247.524950 where: bonds (distance) C4'-P energy: -79.098 bonds (distance) P-C4' energy: -73.419 flat angles C4'-P-C4' energy: -57.801 flat angles P-C4'-P energy: -46.014 tors. eta vs tors. theta energy: 8.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -997.748177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.748177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.748177 (E_RNA) where: Base-Base interactions energy: -550.167 where: short stacking energy: -380.775 Base-Backbone interact. energy: -2.593 local terms energy: -444.987534 where: bonds (distance) C4'-P energy: -100.507 bonds (distance) P-C4' energy: -86.617 flat angles C4'-P-C4' energy: -100.814 flat angles P-C4'-P energy: -64.387 tors. eta vs tors. theta energy: -92.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -931.724687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.724687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.724687 (E_RNA) where: Base-Base interactions energy: -552.263 where: short stacking energy: -319.692 Base-Backbone interact. energy: -0.926 local terms energy: -378.535439 where: bonds (distance) C4'-P energy: -75.751 bonds (distance) P-C4' energy: -98.813 flat angles C4'-P-C4' energy: -86.520 flat angles P-C4'-P energy: -60.708 tors. eta vs tors. theta energy: -56.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -736.977387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.977387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.977387 (E_RNA) where: Base-Base interactions energy: -350.623 where: short stacking energy: -254.494 Base-Backbone interact. energy: -0.140 local terms energy: -386.214138 where: bonds (distance) C4'-P energy: -85.149 bonds (distance) P-C4' energy: -96.947 flat angles C4'-P-C4' energy: -89.425 flat angles P-C4'-P energy: -51.671 tors. eta vs tors. theta energy: -63.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -786.932538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.932538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.932538 (E_RNA) where: Base-Base interactions energy: -406.243 where: short stacking energy: -254.259 Base-Backbone interact. energy: -0.039 local terms energy: -380.650562 where: bonds (distance) C4'-P energy: -86.698 bonds (distance) P-C4' energy: -86.383 flat angles C4'-P-C4' energy: -81.354 flat angles P-C4'-P energy: -69.761 tors. eta vs tors. theta energy: -56.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -765.758155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.758155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.758155 (E_RNA) where: Base-Base interactions energy: -422.583 where: short stacking energy: -250.428 Base-Backbone interact. energy: -0.978 local terms energy: -342.197034 where: bonds (distance) C4'-P energy: -74.861 bonds (distance) P-C4' energy: -96.556 flat angles C4'-P-C4' energy: -89.991 flat angles P-C4'-P energy: -44.198 tors. eta vs tors. theta energy: -36.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -699.250334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.250334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.250334 (E_RNA) where: Base-Base interactions energy: -366.638 where: short stacking energy: -223.123 Base-Backbone interact. energy: -0.932 local terms energy: -331.680622 where: bonds (distance) C4'-P energy: -88.834 bonds (distance) P-C4' energy: -84.936 flat angles C4'-P-C4' energy: -82.186 flat angles P-C4'-P energy: -44.202 tors. eta vs tors. theta energy: -31.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -625.527477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.527477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.527477 (E_RNA) where: Base-Base interactions energy: -316.555 where: short stacking energy: -183.017 Base-Backbone interact. energy: -1.899 local terms energy: -307.073016 where: bonds (distance) C4'-P energy: -87.891 bonds (distance) P-C4' energy: -85.879 flat angles C4'-P-C4' energy: -70.194 flat angles P-C4'-P energy: -49.309 tors. eta vs tors. theta energy: -13.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -489.638870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.638870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.638870 (E_RNA) where: Base-Base interactions energy: -242.934 where: short stacking energy: -167.380 Base-Backbone interact. energy: -2.398 local terms energy: -244.307597 where: bonds (distance) C4'-P energy: -87.309 bonds (distance) P-C4' energy: -74.010 flat angles C4'-P-C4' energy: -50.540 flat angles P-C4'-P energy: -33.957 tors. eta vs tors. theta energy: 1.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -424.080557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.080557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.080557 (E_RNA) where: Base-Base interactions energy: -134.088 where: short stacking energy: -119.684 Base-Backbone interact. energy: -0.494 local terms energy: -289.498577 where: bonds (distance) C4'-P energy: -81.508 bonds (distance) P-C4' energy: -91.566 flat angles C4'-P-C4' energy: -69.817 flat angles P-C4'-P energy: -48.906 tors. eta vs tors. theta energy: 2.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -383.595501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.595501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.595501 (E_RNA) where: Base-Base interactions energy: -154.310 where: short stacking energy: -106.917 Base-Backbone interact. energy: 0.488 local terms energy: -229.773016 where: bonds (distance) C4'-P energy: -61.170 bonds (distance) P-C4' energy: -87.650 flat angles C4'-P-C4' energy: -63.924 flat angles P-C4'-P energy: -31.916 tors. eta vs tors. theta energy: 14.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1026.796491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.796491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.796491 (E_RNA) where: Base-Base interactions energy: -559.943 where: short stacking energy: -359.490 Base-Backbone interact. energy: 0.716 local terms energy: -467.569573 where: bonds (distance) C4'-P energy: -103.867 bonds (distance) P-C4' energy: -102.192 flat angles C4'-P-C4' energy: -103.654 flat angles P-C4'-P energy: -65.005 tors. eta vs tors. theta energy: -92.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -969.379212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.379212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.379212 (E_RNA) where: Base-Base interactions energy: -581.713 where: short stacking energy: -310.226 Base-Backbone interact. energy: -3.075 local terms energy: -384.591215 where: bonds (distance) C4'-P energy: -85.418 bonds (distance) P-C4' energy: -97.293 flat angles C4'-P-C4' energy: -79.865 flat angles P-C4'-P energy: -63.840 tors. eta vs tors. theta energy: -58.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -910.806001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.806001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.806001 (E_RNA) where: Base-Base interactions energy: -497.499 where: short stacking energy: -323.492 Base-Backbone interact. energy: -1.149 local terms energy: -412.157837 where: bonds (distance) C4'-P energy: -89.009 bonds (distance) P-C4' energy: -84.828 flat angles C4'-P-C4' energy: -98.670 flat angles P-C4'-P energy: -61.813 tors. eta vs tors. theta energy: -77.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -720.612025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.612025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.612025 (E_RNA) where: Base-Base interactions energy: -354.986 where: short stacking energy: -230.644 Base-Backbone interact. energy: -3.597 local terms energy: -362.029350 where: bonds (distance) C4'-P energy: -94.223 bonds (distance) P-C4' energy: -98.069 flat angles C4'-P-C4' energy: -78.228 flat angles P-C4'-P energy: -43.855 tors. eta vs tors. theta energy: -47.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -759.736703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.736703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.736703 (E_RNA) where: Base-Base interactions energy: -396.092 where: short stacking energy: -248.180 Base-Backbone interact. energy: 0.262 local terms energy: -363.906631 where: bonds (distance) C4'-P energy: -80.204 bonds (distance) P-C4' energy: -91.507 flat angles C4'-P-C4' energy: -86.611 flat angles P-C4'-P energy: -53.142 tors. eta vs tors. theta energy: -52.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -748.641492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.641492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.641492 (E_RNA) where: Base-Base interactions energy: -382.557 where: short stacking energy: -221.084 Base-Backbone interact. energy: 0.219 local terms energy: -366.303065 where: bonds (distance) C4'-P energy: -89.788 bonds (distance) P-C4' energy: -91.142 flat angles C4'-P-C4' energy: -87.589 flat angles P-C4'-P energy: -63.450 tors. eta vs tors. theta energy: -34.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -629.083452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.083452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.083452 (E_RNA) where: Base-Base interactions energy: -320.507 where: short stacking energy: -166.712 Base-Backbone interact. energy: -4.996 local terms energy: -303.580457 where: bonds (distance) C4'-P energy: -85.218 bonds (distance) P-C4' energy: -88.989 flat angles C4'-P-C4' energy: -77.123 flat angles P-C4'-P energy: -50.358 tors. eta vs tors. theta energy: -1.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -502.400313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.400313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.400313 (E_RNA) where: Base-Base interactions energy: -221.142 where: short stacking energy: -162.905 Base-Backbone interact. energy: -0.640 local terms energy: -280.618132 where: bonds (distance) C4'-P energy: -77.223 bonds (distance) P-C4' energy: -78.629 flat angles C4'-P-C4' energy: -60.850 flat angles P-C4'-P energy: -52.540 tors. eta vs tors. theta energy: -11.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -466.389309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.389309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.389309 (E_RNA) where: Base-Base interactions energy: -201.210 where: short stacking energy: -122.492 Base-Backbone interact. energy: 1.496 local terms energy: -266.675701 where: bonds (distance) C4'-P energy: -75.040 bonds (distance) P-C4' energy: -78.456 flat angles C4'-P-C4' energy: -72.279 flat angles P-C4'-P energy: -38.814 tors. eta vs tors. theta energy: -2.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -373.185242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.185242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.185242 (E_RNA) where: Base-Base interactions energy: -138.584 where: short stacking energy: -97.633 Base-Backbone interact. energy: -0.844 local terms energy: -233.757274 where: bonds (distance) C4'-P energy: -92.233 bonds (distance) P-C4' energy: -80.828 flat angles C4'-P-C4' energy: -51.309 flat angles P-C4'-P energy: -35.647 tors. eta vs tors. theta energy: 26.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1011.094818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.094818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.094818 (E_RNA) where: Base-Base interactions energy: -565.942 where: short stacking energy: -352.708 Base-Backbone interact. energy: -1.743 local terms energy: -443.409607 where: bonds (distance) C4'-P energy: -95.156 bonds (distance) P-C4' energy: -92.066 flat angles C4'-P-C4' energy: -107.099 flat angles P-C4'-P energy: -72.499 tors. eta vs tors. theta energy: -76.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -994.472212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.472212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.472212 (E_RNA) where: Base-Base interactions energy: -588.298 where: short stacking energy: -331.933 Base-Backbone interact. energy: -0.016 local terms energy: -406.157984 where: bonds (distance) C4'-P energy: -79.282 bonds (distance) P-C4' energy: -95.219 flat angles C4'-P-C4' energy: -104.071 flat angles P-C4'-P energy: -60.560 tors. eta vs tors. theta energy: -67.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -947.623080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.623080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.623080 (E_RNA) where: Base-Base interactions energy: -539.327 where: short stacking energy: -332.611 Base-Backbone interact. energy: 0.986 local terms energy: -409.282244 where: bonds (distance) C4'-P energy: -80.281 bonds (distance) P-C4' energy: -102.426 flat angles C4'-P-C4' energy: -95.001 flat angles P-C4'-P energy: -60.807 tors. eta vs tors. theta energy: -70.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -852.009076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.009076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.009076 (E_RNA) where: Base-Base interactions energy: -471.867 where: short stacking energy: -291.229 Base-Backbone interact. energy: -0.551 local terms energy: -379.590410 where: bonds (distance) C4'-P energy: -88.201 bonds (distance) P-C4' energy: -82.534 flat angles C4'-P-C4' energy: -82.521 flat angles P-C4'-P energy: -67.749 tors. eta vs tors. theta energy: -58.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -734.605578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.605578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.605578 (E_RNA) where: Base-Base interactions energy: -384.573 where: short stacking energy: -216.406 Base-Backbone interact. energy: 0.182 local terms energy: -350.214637 where: bonds (distance) C4'-P energy: -92.223 bonds (distance) P-C4' energy: -88.321 flat angles C4'-P-C4' energy: -87.729 flat angles P-C4'-P energy: -46.145 tors. eta vs tors. theta energy: -35.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -739.623604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.623604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.623604 (E_RNA) where: Base-Base interactions energy: -394.912 where: short stacking energy: -255.700 Base-Backbone interact. energy: -1.737 local terms energy: -342.974115 where: bonds (distance) C4'-P energy: -78.566 bonds (distance) P-C4' energy: -75.460 flat angles C4'-P-C4' energy: -81.129 flat angles P-C4'-P energy: -47.954 tors. eta vs tors. theta energy: -59.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -622.995034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.995034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.995034 (E_RNA) where: Base-Base interactions energy: -325.910 where: short stacking energy: -179.346 Base-Backbone interact. energy: 0.735 local terms energy: -297.819784 where: bonds (distance) C4'-P energy: -61.460 bonds (distance) P-C4' energy: -82.493 flat angles C4'-P-C4' energy: -86.646 flat angles P-C4'-P energy: -50.086 tors. eta vs tors. theta energy: -17.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -512.273224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.273224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.273224 (E_RNA) where: Base-Base interactions energy: -235.121 where: short stacking energy: -145.610 Base-Backbone interact. energy: -2.004 local terms energy: -275.147415 where: bonds (distance) C4'-P energy: -73.622 bonds (distance) P-C4' energy: -91.777 flat angles C4'-P-C4' energy: -71.653 flat angles P-C4'-P energy: -50.952 tors. eta vs tors. theta energy: 12.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -459.119686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.119686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.119686 (E_RNA) where: Base-Base interactions energy: -186.510 where: short stacking energy: -157.594 Base-Backbone interact. energy: -1.001 local terms energy: -271.608887 where: bonds (distance) C4'-P energy: -72.821 bonds (distance) P-C4' energy: -68.763 flat angles C4'-P-C4' energy: -82.947 flat angles P-C4'-P energy: -42.299 tors. eta vs tors. theta energy: -4.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -392.703573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.703573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.703573 (E_RNA) where: Base-Base interactions energy: -147.524 where: short stacking energy: -118.617 Base-Backbone interact. energy: -0.165 local terms energy: -245.014638 where: bonds (distance) C4'-P energy: -85.421 bonds (distance) P-C4' energy: -68.542 flat angles C4'-P-C4' energy: -63.986 flat angles P-C4'-P energy: -32.400 tors. eta vs tors. theta energy: 5.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1044.319179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.319179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.319179 (E_RNA) where: Base-Base interactions energy: -581.868 where: short stacking energy: -360.963 Base-Backbone interact. energy: -3.032 local terms energy: -459.419279 where: bonds (distance) C4'-P energy: -84.955 bonds (distance) P-C4' energy: -105.839 flat angles C4'-P-C4' energy: -97.633 flat angles P-C4'-P energy: -69.743 tors. eta vs tors. theta energy: -101.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1072.093941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.093941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.093941 (E_RNA) where: Base-Base interactions energy: -639.068 where: short stacking energy: -361.344 Base-Backbone interact. energy: -1.662 local terms energy: -431.363405 where: bonds (distance) C4'-P energy: -82.089 bonds (distance) P-C4' energy: -93.847 flat angles C4'-P-C4' energy: -103.527 flat angles P-C4'-P energy: -59.882 tors. eta vs tors. theta energy: -92.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -992.254351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.254351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.254351 (E_RNA) where: Base-Base interactions energy: -562.549 where: short stacking energy: -310.219 Base-Backbone interact. energy: -1.069 local terms energy: -428.636334 where: bonds (distance) C4'-P energy: -95.613 bonds (distance) P-C4' energy: -94.328 flat angles C4'-P-C4' energy: -96.957 flat angles P-C4'-P energy: -58.630 tors. eta vs tors. theta energy: -83.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -880.314582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.314582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.314582 (E_RNA) where: Base-Base interactions energy: -507.602 where: short stacking energy: -294.036 Base-Backbone interact. energy: -1.378 local terms energy: -371.334203 where: bonds (distance) C4'-P energy: -84.600 bonds (distance) P-C4' energy: -75.461 flat angles C4'-P-C4' energy: -97.494 flat angles P-C4'-P energy: -50.968 tors. eta vs tors. theta energy: -62.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -815.338731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.338731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.338731 (E_RNA) where: Base-Base interactions energy: -447.309 where: short stacking energy: -257.140 Base-Backbone interact. energy: 1.207 local terms energy: -369.237164 where: bonds (distance) C4'-P energy: -90.339 bonds (distance) P-C4' energy: -89.531 flat angles C4'-P-C4' energy: -79.522 flat angles P-C4'-P energy: -59.125 tors. eta vs tors. theta energy: -50.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -690.855317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.855317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.855317 (E_RNA) where: Base-Base interactions energy: -380.602 where: short stacking energy: -222.991 Base-Backbone interact. energy: -1.266 local terms energy: -308.987405 where: bonds (distance) C4'-P energy: -75.113 bonds (distance) P-C4' energy: -80.989 flat angles C4'-P-C4' energy: -63.074 flat angles P-C4'-P energy: -49.467 tors. eta vs tors. theta energy: -40.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -629.819289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.819289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.819289 (E_RNA) where: Base-Base interactions energy: -309.415 where: short stacking energy: -186.550 Base-Backbone interact. energy: 0.324 local terms energy: -320.727986 where: bonds (distance) C4'-P energy: -73.280 bonds (distance) P-C4' energy: -99.838 flat angles C4'-P-C4' energy: -65.804 flat angles P-C4'-P energy: -57.763 tors. eta vs tors. theta energy: -24.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -577.610484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.610484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.610484 (E_RNA) where: Base-Base interactions energy: -285.713 where: short stacking energy: -153.841 Base-Backbone interact. energy: 0.247 local terms energy: -292.144266 where: bonds (distance) C4'-P energy: -84.543 bonds (distance) P-C4' energy: -83.059 flat angles C4'-P-C4' energy: -74.179 flat angles P-C4'-P energy: -39.062 tors. eta vs tors. theta energy: -11.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -499.637660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.637660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.637660 (E_RNA) where: Base-Base interactions energy: -241.593 where: short stacking energy: -148.507 Base-Backbone interact. energy: -1.784 local terms energy: -256.260887 where: bonds (distance) C4'-P energy: -88.946 bonds (distance) P-C4' energy: -74.248 flat angles C4'-P-C4' energy: -47.778 flat angles P-C4'-P energy: -40.355 tors. eta vs tors. theta energy: -4.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -409.974908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.974908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.974908 (E_RNA) where: Base-Base interactions energy: -151.228 where: short stacking energy: -99.827 Base-Backbone interact. energy: -0.376 local terms energy: -258.371308 where: bonds (distance) C4'-P energy: -78.649 bonds (distance) P-C4' energy: -86.718 flat angles C4'-P-C4' energy: -61.001 flat angles P-C4'-P energy: -43.842 tors. eta vs tors. theta energy: 11.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1052.872622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.872622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.872622 (E_RNA) where: Base-Base interactions energy: -598.618 where: short stacking energy: -350.884 Base-Backbone interact. energy: -1.809 local terms energy: -452.445744 where: bonds (distance) C4'-P energy: -96.990 bonds (distance) P-C4' energy: -98.807 flat angles C4'-P-C4' energy: -100.084 flat angles P-C4'-P energy: -63.705 tors. eta vs tors. theta energy: -92.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1099.840134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.840134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.840134 (E_RNA) where: Base-Base interactions energy: -685.231 where: short stacking energy: -365.188 Base-Backbone interact. energy: -3.587 local terms energy: -411.021710 where: bonds (distance) C4'-P energy: -87.073 bonds (distance) P-C4' energy: -78.943 flat angles C4'-P-C4' energy: -97.012 flat angles P-C4'-P energy: -54.484 tors. eta vs tors. theta energy: -93.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1026.661160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.661160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.661160 (E_RNA) where: Base-Base interactions energy: -603.666 where: short stacking energy: -335.054 Base-Backbone interact. energy: 1.070 local terms energy: -424.064923 where: bonds (distance) C4'-P energy: -77.433 bonds (distance) P-C4' energy: -103.024 flat angles C4'-P-C4' energy: -97.353 flat angles P-C4'-P energy: -54.270 tors. eta vs tors. theta energy: -91.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -926.007245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.007245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.007245 (E_RNA) where: Base-Base interactions energy: -519.652 where: short stacking energy: -300.931 Base-Backbone interact. energy: -4.537 local terms energy: -401.818263 where: bonds (distance) C4'-P energy: -86.446 bonds (distance) P-C4' energy: -106.519 flat angles C4'-P-C4' energy: -87.486 flat angles P-C4'-P energy: -52.580 tors. eta vs tors. theta energy: -68.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -828.930081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.930081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.930081 (E_RNA) where: Base-Base interactions energy: -468.036 where: short stacking energy: -290.217 Base-Backbone interact. energy: -0.643 local terms energy: -360.251525 where: bonds (distance) C4'-P energy: -77.943 bonds (distance) P-C4' energy: -85.278 flat angles C4'-P-C4' energy: -88.103 flat angles P-C4'-P energy: -52.938 tors. eta vs tors. theta energy: -55.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -719.126798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.126798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.126798 (E_RNA) where: Base-Base interactions energy: -409.150 where: short stacking energy: -246.880 Base-Backbone interact. energy: -0.321 local terms energy: -309.655996 where: bonds (distance) C4'-P energy: -77.302 bonds (distance) P-C4' energy: -89.352 flat angles C4'-P-C4' energy: -69.745 flat angles P-C4'-P energy: -33.399 tors. eta vs tors. theta energy: -39.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -606.085234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.085234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.085234 (E_RNA) where: Base-Base interactions energy: -320.756 where: short stacking energy: -203.384 Base-Backbone interact. energy: -1.331 local terms energy: -283.997666 where: bonds (distance) C4'-P energy: -72.180 bonds (distance) P-C4' energy: -76.482 flat angles C4'-P-C4' energy: -70.684 flat angles P-C4'-P energy: -52.873 tors. eta vs tors. theta energy: -11.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -599.629559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.629559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.629559 (E_RNA) where: Base-Base interactions energy: -294.533 where: short stacking energy: -197.580 Base-Backbone interact. energy: 3.434 local terms energy: -308.530957 where: bonds (distance) C4'-P energy: -76.056 bonds (distance) P-C4' energy: -94.475 flat angles C4'-P-C4' energy: -72.860 flat angles P-C4'-P energy: -47.249 tors. eta vs tors. theta energy: -17.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -525.795990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.795990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.795990 (E_RNA) where: Base-Base interactions energy: -235.296 where: short stacking energy: -153.914 Base-Backbone interact. energy: 0.659 local terms energy: -291.158526 where: bonds (distance) C4'-P energy: -88.375 bonds (distance) P-C4' energy: -94.537 flat angles C4'-P-C4' energy: -75.158 flat angles P-C4'-P energy: -38.043 tors. eta vs tors. theta energy: 4.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -401.682666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.682666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.682666 (E_RNA) where: Base-Base interactions energy: -163.146 where: short stacking energy: -93.096 Base-Backbone interact. energy: 1.591 local terms energy: -240.127624 where: bonds (distance) C4'-P energy: -74.786 bonds (distance) P-C4' energy: -78.526 flat angles C4'-P-C4' energy: -64.977 flat angles P-C4'-P energy: -36.924 tors. eta vs tors. theta energy: 15.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1142.373731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.373731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.373731 (E_RNA) where: Base-Base interactions energy: -709.168 where: short stacking energy: -346.938 Base-Backbone interact. energy: -0.679 local terms energy: -432.526729 where: bonds (distance) C4'-P energy: -92.960 bonds (distance) P-C4' energy: -101.203 flat angles C4'-P-C4' energy: -94.311 flat angles P-C4'-P energy: -54.286 tors. eta vs tors. theta energy: -89.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -967.371030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.371030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.371030 (E_RNA) where: Base-Base interactions energy: -535.336 where: short stacking energy: -311.995 Base-Backbone interact. energy: -3.042 local terms energy: -428.993026 where: bonds (distance) C4'-P energy: -85.766 bonds (distance) P-C4' energy: -105.611 flat angles C4'-P-C4' energy: -100.006 flat angles P-C4'-P energy: -63.072 tors. eta vs tors. theta energy: -74.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1051.277993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.277993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.277993 (E_RNA) where: Base-Base interactions energy: -620.183 where: short stacking energy: -315.230 Base-Backbone interact. energy: -0.423 local terms energy: -430.672124 where: bonds (distance) C4'-P energy: -91.697 bonds (distance) P-C4' energy: -97.276 flat angles C4'-P-C4' energy: -99.046 flat angles P-C4'-P energy: -59.827 tors. eta vs tors. theta energy: -82.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -967.130649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.130649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.130649 (E_RNA) where: Base-Base interactions energy: -573.599 where: short stacking energy: -294.917 Base-Backbone interact. energy: -2.519 local terms energy: -391.012903 where: bonds (distance) C4'-P energy: -92.186 bonds (distance) P-C4' energy: -98.120 flat angles C4'-P-C4' energy: -80.653 flat angles P-C4'-P energy: -66.569 tors. eta vs tors. theta energy: -53.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -847.002948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.002948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.002948 (E_RNA) where: Base-Base interactions energy: -452.534 where: short stacking energy: -277.980 Base-Backbone interact. energy: -0.844 local terms energy: -393.624490 where: bonds (distance) C4'-P energy: -81.226 bonds (distance) P-C4' energy: -94.191 flat angles C4'-P-C4' energy: -93.361 flat angles P-C4'-P energy: -59.218 tors. eta vs tors. theta energy: -65.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -723.828206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.828206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.828206 (E_RNA) where: Base-Base interactions energy: -374.637 where: short stacking energy: -215.994 Base-Backbone interact. energy: -1.871 local terms energy: -347.320058 where: bonds (distance) C4'-P energy: -86.102 bonds (distance) P-C4' energy: -89.217 flat angles C4'-P-C4' energy: -83.799 flat angles P-C4'-P energy: -60.947 tors. eta vs tors. theta energy: -27.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -676.577456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.577456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.577456 (E_RNA) where: Base-Base interactions energy: -346.635 where: short stacking energy: -217.691 Base-Backbone interact. energy: -2.634 local terms energy: -327.308379 where: bonds (distance) C4'-P energy: -72.021 bonds (distance) P-C4' energy: -90.259 flat angles C4'-P-C4' energy: -76.293 flat angles P-C4'-P energy: -49.260 tors. eta vs tors. theta energy: -39.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -612.902462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.902462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.902462 (E_RNA) where: Base-Base interactions energy: -318.738 where: short stacking energy: -165.716 Base-Backbone interact. energy: -1.149 local terms energy: -293.014730 where: bonds (distance) C4'-P energy: -70.343 bonds (distance) P-C4' energy: -78.599 flat angles C4'-P-C4' energy: -79.913 flat angles P-C4'-P energy: -40.298 tors. eta vs tors. theta energy: -23.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -555.426935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.426935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.426935 (E_RNA) where: Base-Base interactions energy: -293.227 where: short stacking energy: -155.279 Base-Backbone interact. energy: -1.879 local terms energy: -260.321507 where: bonds (distance) C4'-P energy: -86.288 bonds (distance) P-C4' energy: -70.324 flat angles C4'-P-C4' energy: -57.258 flat angles P-C4'-P energy: -34.575 tors. eta vs tors. theta energy: -11.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -390.155826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.155826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.155826 (E_RNA) where: Base-Base interactions energy: -167.755 where: short stacking energy: -134.443 Base-Backbone interact. energy: 0.763 local terms energy: -223.163966 where: bonds (distance) C4'-P energy: -70.588 bonds (distance) P-C4' energy: -72.487 flat angles C4'-P-C4' energy: -72.276 flat angles P-C4'-P energy: -21.101 tors. eta vs tors. theta energy: 13.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1157.085050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.085050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.085050 (E_RNA) where: Base-Base interactions energy: -694.627 where: short stacking energy: -390.448 Base-Backbone interact. energy: -3.297 local terms energy: -459.160572 where: bonds (distance) C4'-P energy: -102.703 bonds (distance) P-C4' energy: -94.460 flat angles C4'-P-C4' energy: -102.046 flat angles P-C4'-P energy: -58.012 tors. eta vs tors. theta energy: -101.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1128.543189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.543189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.543189 (E_RNA) where: Base-Base interactions energy: -692.582 where: short stacking energy: -335.153 Base-Backbone interact. energy: -4.657 local terms energy: -431.304359 where: bonds (distance) C4'-P energy: -86.164 bonds (distance) P-C4' energy: -106.467 flat angles C4'-P-C4' energy: -93.982 flat angles P-C4'-P energy: -60.220 tors. eta vs tors. theta energy: -84.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -936.556018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.556018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.556018 (E_RNA) where: Base-Base interactions energy: -539.724 where: short stacking energy: -332.268 Base-Backbone interact. energy: 1.502 local terms energy: -398.334312 where: bonds (distance) C4'-P energy: -77.102 bonds (distance) P-C4' energy: -83.942 flat angles C4'-P-C4' energy: -89.121 flat angles P-C4'-P energy: -64.096 tors. eta vs tors. theta energy: -84.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -998.073265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.073265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.073265 (E_RNA) where: Base-Base interactions energy: -616.617 where: short stacking energy: -338.067 Base-Backbone interact. energy: 0.639 local terms energy: -382.095983 where: bonds (distance) C4'-P energy: -72.790 bonds (distance) P-C4' energy: -79.256 flat angles C4'-P-C4' energy: -76.077 flat angles P-C4'-P energy: -61.340 tors. eta vs tors. theta energy: -92.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -848.878172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.878172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.878172 (E_RNA) where: Base-Base interactions energy: -458.561 where: short stacking energy: -245.513 Base-Backbone interact. energy: -0.895 local terms energy: -389.422267 where: bonds (distance) C4'-P energy: -90.869 bonds (distance) P-C4' energy: -92.371 flat angles C4'-P-C4' energy: -93.445 flat angles P-C4'-P energy: -61.331 tors. eta vs tors. theta energy: -51.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -801.572922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.572922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.572922 (E_RNA) where: Base-Base interactions energy: -461.631 where: short stacking energy: -243.095 Base-Backbone interact. energy: 0.652 local terms energy: -340.593779 where: bonds (distance) C4'-P energy: -79.263 bonds (distance) P-C4' energy: -83.718 flat angles C4'-P-C4' energy: -78.041 flat angles P-C4'-P energy: -53.544 tors. eta vs tors. theta energy: -46.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -664.983160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.983160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.983160 (E_RNA) where: Base-Base interactions energy: -358.601 where: short stacking energy: -186.128 Base-Backbone interact. energy: -1.335 local terms energy: -305.046658 where: bonds (distance) C4'-P energy: -76.888 bonds (distance) P-C4' energy: -78.647 flat angles C4'-P-C4' energy: -70.204 flat angles P-C4'-P energy: -52.884 tors. eta vs tors. theta energy: -26.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -602.345775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.345775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.345775 (E_RNA) where: Base-Base interactions energy: -306.415 where: short stacking energy: -192.193 Base-Backbone interact. energy: 2.907 local terms energy: -298.837729 where: bonds (distance) C4'-P energy: -91.338 bonds (distance) P-C4' energy: -74.779 flat angles C4'-P-C4' energy: -69.506 flat angles P-C4'-P energy: -44.389 tors. eta vs tors. theta energy: -18.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -549.642646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.642646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.642646 (E_RNA) where: Base-Base interactions energy: -254.063 where: short stacking energy: -146.940 Base-Backbone interact. energy: -2.308 local terms energy: -293.271672 where: bonds (distance) C4'-P energy: -85.227 bonds (distance) P-C4' energy: -88.584 flat angles C4'-P-C4' energy: -71.714 flat angles P-C4'-P energy: -43.517 tors. eta vs tors. theta energy: -4.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -442.245075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.245075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.245075 (E_RNA) where: Base-Base interactions energy: -202.299 where: short stacking energy: -137.706 Base-Backbone interact. energy: 5.223 local terms energy: -245.169559 where: bonds (distance) C4'-P energy: -78.577 bonds (distance) P-C4' energy: -86.887 flat angles C4'-P-C4' energy: -59.662 flat angles P-C4'-P energy: -32.001 tors. eta vs tors. theta energy: 11.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1128.119348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.119348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.119348 (E_RNA) where: Base-Base interactions energy: -672.076 where: short stacking energy: -379.227 Base-Backbone interact. energy: 0.258 local terms energy: -456.300558 where: bonds (distance) C4'-P energy: -96.688 bonds (distance) P-C4' energy: -97.106 flat angles C4'-P-C4' energy: -94.955 flat angles P-C4'-P energy: -70.444 tors. eta vs tors. theta energy: -97.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1164.925170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.925170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.925170 (E_RNA) where: Base-Base interactions energy: -729.173 where: short stacking energy: -358.620 Base-Backbone interact. energy: -1.679 local terms energy: -434.072859 where: bonds (distance) C4'-P energy: -90.125 bonds (distance) P-C4' energy: -94.417 flat angles C4'-P-C4' energy: -89.691 flat angles P-C4'-P energy: -66.726 tors. eta vs tors. theta energy: -93.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1057.444665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.444665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.444665 (E_RNA) where: Base-Base interactions energy: -623.977 where: short stacking energy: -315.473 Base-Backbone interact. energy: -4.183 local terms energy: -429.285196 where: bonds (distance) C4'-P energy: -77.904 bonds (distance) P-C4' energy: -109.035 flat angles C4'-P-C4' energy: -97.151 flat angles P-C4'-P energy: -54.725 tors. eta vs tors. theta energy: -90.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -880.673987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.673987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.673987 (E_RNA) where: Base-Base interactions energy: -505.241 where: short stacking energy: -304.977 Base-Backbone interact. energy: -0.295 local terms energy: -375.137659 where: bonds (distance) C4'-P energy: -87.902 bonds (distance) P-C4' energy: -93.230 flat angles C4'-P-C4' energy: -89.304 flat angles P-C4'-P energy: -47.640 tors. eta vs tors. theta energy: -57.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -906.267308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.267308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.267308 (E_RNA) where: Base-Base interactions energy: -555.741 where: short stacking energy: -290.597 Base-Backbone interact. energy: -0.545 local terms energy: -349.981748 where: bonds (distance) C4'-P energy: -63.999 bonds (distance) P-C4' energy: -84.436 flat angles C4'-P-C4' energy: -84.811 flat angles P-C4'-P energy: -56.207 tors. eta vs tors. theta energy: -60.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -825.102355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.102355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.102355 (E_RNA) where: Base-Base interactions energy: -471.939 where: short stacking energy: -267.628 Base-Backbone interact. energy: -2.527 local terms energy: -350.636429 where: bonds (distance) C4'-P energy: -85.366 bonds (distance) P-C4' energy: -82.465 flat angles C4'-P-C4' energy: -70.723 flat angles P-C4'-P energy: -59.403 tors. eta vs tors. theta energy: -52.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -633.758261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.758261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.758261 (E_RNA) where: Base-Base interactions energy: -326.166 where: short stacking energy: -189.905 Base-Backbone interact. energy: -0.783 local terms energy: -306.809674 where: bonds (distance) C4'-P energy: -80.628 bonds (distance) P-C4' energy: -81.247 flat angles C4'-P-C4' energy: -81.588 flat angles P-C4'-P energy: -45.701 tors. eta vs tors. theta energy: -17.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -560.734133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.734133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.734133 (E_RNA) where: Base-Base interactions energy: -282.969 where: short stacking energy: -173.129 Base-Backbone interact. energy: 0.735 local terms energy: -278.500549 where: bonds (distance) C4'-P energy: -72.289 bonds (distance) P-C4' energy: -83.025 flat angles C4'-P-C4' energy: -76.094 flat angles P-C4'-P energy: -29.946 tors. eta vs tors. theta energy: -17.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -517.126230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.126230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.126230 (E_RNA) where: Base-Base interactions energy: -244.823 where: short stacking energy: -139.291 Base-Backbone interact. energy: -0.958 local terms energy: -271.345379 where: bonds (distance) C4'-P energy: -84.340 bonds (distance) P-C4' energy: -79.561 flat angles C4'-P-C4' energy: -75.928 flat angles P-C4'-P energy: -40.113 tors. eta vs tors. theta energy: 8.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -487.764776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.764776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.764776 (E_RNA) where: Base-Base interactions energy: -224.538 where: short stacking energy: -147.253 Base-Backbone interact. energy: -2.749 local terms energy: -260.477669 where: bonds (distance) C4'-P energy: -78.827 bonds (distance) P-C4' energy: -64.932 flat angles C4'-P-C4' energy: -64.082 flat angles P-C4'-P energy: -40.546 tors. eta vs tors. theta energy: -12.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1176.022617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.022617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.022617 (E_RNA) where: Base-Base interactions energy: -729.375 where: short stacking energy: -389.708 Base-Backbone interact. energy: 0.575 local terms energy: -447.221990 where: bonds (distance) C4'-P energy: -88.065 bonds (distance) P-C4' energy: -97.683 flat angles C4'-P-C4' energy: -100.537 flat angles P-C4'-P energy: -65.498 tors. eta vs tors. theta energy: -95.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1219.801920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.801920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.801920 (E_RNA) where: Base-Base interactions energy: -799.417 where: short stacking energy: -388.877 Base-Backbone interact. energy: -2.358 local terms energy: -418.026314 where: bonds (distance) C4'-P energy: -82.684 bonds (distance) P-C4' energy: -85.419 flat angles C4'-P-C4' energy: -98.278 flat angles P-C4'-P energy: -53.589 tors. eta vs tors. theta energy: -98.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1079.304591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.304591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.304591 (E_RNA) where: Base-Base interactions energy: -665.268 where: short stacking energy: -346.814 Base-Backbone interact. energy: -2.804 local terms energy: -411.231883 where: bonds (distance) C4'-P energy: -73.038 bonds (distance) P-C4' energy: -89.087 flat angles C4'-P-C4' energy: -96.899 flat angles P-C4'-P energy: -69.757 tors. eta vs tors. theta energy: -82.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -972.161581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.161581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.161581 (E_RNA) where: Base-Base interactions energy: -584.931 where: short stacking energy: -303.340 Base-Backbone interact. energy: -0.128 local terms energy: -387.102611 where: bonds (distance) C4'-P energy: -88.545 bonds (distance) P-C4' energy: -78.152 flat angles C4'-P-C4' energy: -98.302 flat angles P-C4'-P energy: -58.945 tors. eta vs tors. theta energy: -63.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -806.592279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.592279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.592279 (E_RNA) where: Base-Base interactions energy: -443.968 where: short stacking energy: -291.662 Base-Backbone interact. energy: -3.119 local terms energy: -359.505665 where: bonds (distance) C4'-P energy: -76.216 bonds (distance) P-C4' energy: -86.599 flat angles C4'-P-C4' energy: -88.199 flat angles P-C4'-P energy: -45.988 tors. eta vs tors. theta energy: -62.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -877.650325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.650325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.650325 (E_RNA) where: Base-Base interactions energy: -524.307 where: short stacking energy: -269.978 Base-Backbone interact. energy: -2.228 local terms energy: -351.116158 where: bonds (distance) C4'-P energy: -74.096 bonds (distance) P-C4' energy: -101.190 flat angles C4'-P-C4' energy: -60.804 flat angles P-C4'-P energy: -60.222 tors. eta vs tors. theta energy: -54.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -729.182132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.182132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.182132 (E_RNA) where: Base-Base interactions energy: -399.447 where: short stacking energy: -241.899 Base-Backbone interact. energy: 2.827 local terms energy: -332.562177 where: bonds (distance) C4'-P energy: -87.971 bonds (distance) P-C4' energy: -81.213 flat angles C4'-P-C4' energy: -82.439 flat angles P-C4'-P energy: -51.276 tors. eta vs tors. theta energy: -29.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -522.394344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.394344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.394344 (E_RNA) where: Base-Base interactions energy: -230.434 where: short stacking energy: -144.035 Base-Backbone interact. energy: -0.113 local terms energy: -291.847264 where: bonds (distance) C4'-P energy: -84.028 bonds (distance) P-C4' energy: -70.339 flat angles C4'-P-C4' energy: -88.333 flat angles P-C4'-P energy: -41.068 tors. eta vs tors. theta energy: -8.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -556.465530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.465530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.465530 (E_RNA) where: Base-Base interactions energy: -283.970 where: short stacking energy: -148.220 Base-Backbone interact. energy: 0.633 local terms energy: -273.128588 where: bonds (distance) C4'-P energy: -90.777 bonds (distance) P-C4' energy: -68.308 flat angles C4'-P-C4' energy: -77.961 flat angles P-C4'-P energy: -40.007 tors. eta vs tors. theta energy: 3.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -474.020407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.020407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.020407 (E_RNA) where: Base-Base interactions energy: -238.017 where: short stacking energy: -131.221 Base-Backbone interact. energy: -0.737 local terms energy: -235.266393 where: bonds (distance) C4'-P energy: -72.670 bonds (distance) P-C4' energy: -84.332 flat angles C4'-P-C4' energy: -55.414 flat angles P-C4'-P energy: -30.162 tors. eta vs tors. theta energy: 7.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1250.808536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.808536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.808536 (E_RNA) where: Base-Base interactions energy: -780.224 where: short stacking energy: -378.392 Base-Backbone interact. energy: -1.752 local terms energy: -468.832517 where: bonds (distance) C4'-P energy: -91.711 bonds (distance) P-C4' energy: -104.099 flat angles C4'-P-C4' energy: -103.561 flat angles P-C4'-P energy: -68.552 tors. eta vs tors. theta energy: -100.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1126.327944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.327944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.327944 (E_RNA) where: Base-Base interactions energy: -699.143 where: short stacking energy: -352.193 Base-Backbone interact. energy: -2.588 local terms energy: -424.596802 where: bonds (distance) C4'-P energy: -95.095 bonds (distance) P-C4' energy: -89.604 flat angles C4'-P-C4' energy: -105.669 flat angles P-C4'-P energy: -53.276 tors. eta vs tors. theta energy: -80.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1132.093902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.093902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.093902 (E_RNA) where: Base-Base interactions energy: -711.193 where: short stacking energy: -351.472 Base-Backbone interact. energy: -0.363 local terms energy: -420.538016 where: bonds (distance) C4'-P energy: -92.935 bonds (distance) P-C4' energy: -89.541 flat angles C4'-P-C4' energy: -103.417 flat angles P-C4'-P energy: -54.293 tors. eta vs tors. theta energy: -80.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1074.996315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.996315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.996315 (E_RNA) where: Base-Base interactions energy: -672.146 where: short stacking energy: -339.232 Base-Backbone interact. energy: -1.450 local terms energy: -401.400746 where: bonds (distance) C4'-P energy: -90.018 bonds (distance) P-C4' energy: -93.310 flat angles C4'-P-C4' energy: -78.380 flat angles P-C4'-P energy: -61.107 tors. eta vs tors. theta energy: -78.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -837.568432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.568432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.568432 (E_RNA) where: Base-Base interactions energy: -479.888 where: short stacking energy: -279.948 Base-Backbone interact. energy: -0.253 local terms energy: -357.427648 where: bonds (distance) C4'-P energy: -62.981 bonds (distance) P-C4' energy: -96.160 flat angles C4'-P-C4' energy: -84.778 flat angles P-C4'-P energy: -52.618 tors. eta vs tors. theta energy: -60.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -885.886810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.886810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.886810 (E_RNA) where: Base-Base interactions energy: -540.826 where: short stacking energy: -281.932 Base-Backbone interact. energy: -0.528 local terms energy: -344.532302 where: bonds (distance) C4'-P energy: -83.980 bonds (distance) P-C4' energy: -93.963 flat angles C4'-P-C4' energy: -88.459 flat angles P-C4'-P energy: -23.149 tors. eta vs tors. theta energy: -54.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -706.906138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.906138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.906138 (E_RNA) where: Base-Base interactions energy: -403.148 where: short stacking energy: -190.487 Base-Backbone interact. energy: 6.072 local terms energy: -309.830036 where: bonds (distance) C4'-P energy: -62.945 bonds (distance) P-C4' energy: -79.305 flat angles C4'-P-C4' energy: -80.311 flat angles P-C4'-P energy: -58.583 tors. eta vs tors. theta energy: -28.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -659.384565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.384565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.384565 (E_RNA) where: Base-Base interactions energy: -354.612 where: short stacking energy: -172.264 Base-Backbone interact. energy: 0.098 local terms energy: -304.870943 where: bonds (distance) C4'-P energy: -83.888 bonds (distance) P-C4' energy: -81.195 flat angles C4'-P-C4' energy: -71.541 flat angles P-C4'-P energy: -48.286 tors. eta vs tors. theta energy: -19.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -510.673389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.673389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.673389 (E_RNA) where: Base-Base interactions energy: -262.548 where: short stacking energy: -151.447 Base-Backbone interact. energy: 1.766 local terms energy: -249.891552 where: bonds (distance) C4'-P energy: -73.818 bonds (distance) P-C4' energy: -74.642 flat angles C4'-P-C4' energy: -69.904 flat angles P-C4'-P energy: -34.224 tors. eta vs tors. theta energy: 2.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -507.899356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.899356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.899356 (E_RNA) where: Base-Base interactions energy: -251.998 where: short stacking energy: -154.381 Base-Backbone interact. energy: 0.068 local terms energy: -255.969828 where: bonds (distance) C4'-P energy: -76.165 bonds (distance) P-C4' energy: -71.656 flat angles C4'-P-C4' energy: -70.117 flat angles P-C4'-P energy: -24.686 tors. eta vs tors. theta energy: -13.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1286.610170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.610170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.610170 (E_RNA) where: Base-Base interactions energy: -828.078 where: short stacking energy: -380.935 Base-Backbone interact. energy: 0.631 local terms energy: -459.162954 where: bonds (distance) C4'-P energy: -97.620 bonds (distance) P-C4' energy: -96.859 flat angles C4'-P-C4' energy: -96.711 flat angles P-C4'-P energy: -59.413 tors. eta vs tors. theta energy: -108.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1290.611424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.611424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.611424 (E_RNA) where: Base-Base interactions energy: -839.334 where: short stacking energy: -372.977 Base-Backbone interact. energy: -3.378 local terms energy: -447.898786 where: bonds (distance) C4'-P energy: -75.646 bonds (distance) P-C4' energy: -97.202 flat angles C4'-P-C4' energy: -96.414 flat angles P-C4'-P energy: -72.776 tors. eta vs tors. theta energy: -105.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1088.853431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.853431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.853431 (E_RNA) where: Base-Base interactions energy: -681.476 where: short stacking energy: -334.917 Base-Backbone interact. energy: -2.217 local terms energy: -405.160525 where: bonds (distance) C4'-P energy: -77.637 bonds (distance) P-C4' energy: -87.134 flat angles C4'-P-C4' energy: -105.199 flat angles P-C4'-P energy: -71.132 tors. eta vs tors. theta energy: -64.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1061.659946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.659946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.659946 (E_RNA) where: Base-Base interactions energy: -675.906 where: short stacking energy: -333.217 Base-Backbone interact. energy: -3.594 local terms energy: -382.160211 where: bonds (distance) C4'-P energy: -83.203 bonds (distance) P-C4' energy: -73.748 flat angles C4'-P-C4' energy: -85.535 flat angles P-C4'-P energy: -61.729 tors. eta vs tors. theta energy: -77.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -863.413870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.413870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.413870 (E_RNA) where: Base-Base interactions energy: -482.800 where: short stacking energy: -270.788 Base-Backbone interact. energy: -3.876 local terms energy: -376.737247 where: bonds (distance) C4'-P energy: -82.000 bonds (distance) P-C4' energy: -89.852 flat angles C4'-P-C4' energy: -88.700 flat angles P-C4'-P energy: -54.451 tors. eta vs tors. theta energy: -61.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -877.382979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.382979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.382979 (E_RNA) where: Base-Base interactions energy: -509.213 where: short stacking energy: -270.883 Base-Backbone interact. energy: -1.340 local terms energy: -366.830442 where: bonds (distance) C4'-P energy: -87.830 bonds (distance) P-C4' energy: -86.884 flat angles C4'-P-C4' energy: -83.821 flat angles P-C4'-P energy: -50.274 tors. eta vs tors. theta energy: -58.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -724.412049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.412049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.412049 (E_RNA) where: Base-Base interactions energy: -379.647 where: short stacking energy: -221.154 Base-Backbone interact. energy: -2.299 local terms energy: -342.465483 where: bonds (distance) C4'-P energy: -72.009 bonds (distance) P-C4' energy: -95.462 flat angles C4'-P-C4' energy: -86.788 flat angles P-C4'-P energy: -54.470 tors. eta vs tors. theta energy: -33.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -668.764381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.764381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.764381 (E_RNA) where: Base-Base interactions energy: -353.814 where: short stacking energy: -197.596 Base-Backbone interact. energy: -0.695 local terms energy: -314.256206 where: bonds (distance) C4'-P energy: -73.567 bonds (distance) P-C4' energy: -77.084 flat angles C4'-P-C4' energy: -70.769 flat angles P-C4'-P energy: -50.107 tors. eta vs tors. theta energy: -42.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -545.447884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.447884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.447884 (E_RNA) where: Base-Base interactions energy: -258.128 where: short stacking energy: -167.745 Base-Backbone interact. energy: 1.375 local terms energy: -288.695034 where: bonds (distance) C4'-P energy: -79.126 bonds (distance) P-C4' energy: -83.043 flat angles C4'-P-C4' energy: -63.334 flat angles P-C4'-P energy: -50.766 tors. eta vs tors. theta energy: -12.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -466.209589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.209589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.209589 (E_RNA) where: Base-Base interactions energy: -240.645 where: short stacking energy: -155.652 Base-Backbone interact. energy: 8.222 local terms energy: -233.786727 where: bonds (distance) C4'-P energy: -59.051 bonds (distance) P-C4' energy: -77.778 flat angles C4'-P-C4' energy: -62.952 flat angles P-C4'-P energy: -37.208 tors. eta vs tors. theta energy: 3.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1356.883977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.883977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.883977 (E_RNA) where: Base-Base interactions energy: -879.395 where: short stacking energy: -426.680 Base-Backbone interact. energy: -2.620 local terms energy: -474.868721 where: bonds (distance) C4'-P energy: -92.378 bonds (distance) P-C4' energy: -95.954 flat angles C4'-P-C4' energy: -101.366 flat angles P-C4'-P energy: -70.713 tors. eta vs tors. theta energy: -114.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1257.345061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.345061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.345061 (E_RNA) where: Base-Base interactions energy: -791.273 where: short stacking energy: -380.035 Base-Backbone interact. energy: -5.502 local terms energy: -460.570827 where: bonds (distance) C4'-P energy: -97.887 bonds (distance) P-C4' energy: -100.792 flat angles C4'-P-C4' energy: -99.454 flat angles P-C4'-P energy: -68.127 tors. eta vs tors. theta energy: -94.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1097.017420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.017420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.017420 (E_RNA) where: Base-Base interactions energy: -697.220 where: short stacking energy: -350.610 Base-Backbone interact. energy: -1.537 local terms energy: -398.261105 where: bonds (distance) C4'-P energy: -85.882 bonds (distance) P-C4' energy: -98.217 flat angles C4'-P-C4' energy: -83.223 flat angles P-C4'-P energy: -49.718 tors. eta vs tors. theta energy: -81.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1012.104200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.104200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.104200 (E_RNA) where: Base-Base interactions energy: -618.933 where: short stacking energy: -291.801 Base-Backbone interact. energy: -1.805 local terms energy: -391.366126 where: bonds (distance) C4'-P energy: -80.524 bonds (distance) P-C4' energy: -102.776 flat angles C4'-P-C4' energy: -90.043 flat angles P-C4'-P energy: -52.671 tors. eta vs tors. theta energy: -65.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -978.504463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.504463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.504463 (E_RNA) where: Base-Base interactions energy: -593.949 where: short stacking energy: -298.989 Base-Backbone interact. energy: -1.579 local terms energy: -382.975981 where: bonds (distance) C4'-P energy: -88.056 bonds (distance) P-C4' energy: -90.988 flat angles C4'-P-C4' energy: -87.146 flat angles P-C4'-P energy: -53.742 tors. eta vs tors. theta energy: -63.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -770.557291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.557291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.557291 (E_RNA) where: Base-Base interactions energy: -418.900 where: short stacking energy: -231.223 Base-Backbone interact. energy: -0.356 local terms energy: -351.301482 where: bonds (distance) C4'-P energy: -79.707 bonds (distance) P-C4' energy: -84.394 flat angles C4'-P-C4' energy: -101.425 flat angles P-C4'-P energy: -49.539 tors. eta vs tors. theta energy: -36.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -734.070614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.070614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.070614 (E_RNA) where: Base-Base interactions energy: -411.970 where: short stacking energy: -214.872 Base-Backbone interact. energy: -1.853 local terms energy: -320.247554 where: bonds (distance) C4'-P energy: -76.230 bonds (distance) P-C4' energy: -81.871 flat angles C4'-P-C4' energy: -82.420 flat angles P-C4'-P energy: -45.887 tors. eta vs tors. theta energy: -33.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -690.443756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.443756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.443756 (E_RNA) where: Base-Base interactions energy: -392.950 where: short stacking energy: -209.760 Base-Backbone interact. energy: -0.740 local terms energy: -296.753765 where: bonds (distance) C4'-P energy: -76.673 bonds (distance) P-C4' energy: -79.716 flat angles C4'-P-C4' energy: -67.525 flat angles P-C4'-P energy: -41.940 tors. eta vs tors. theta energy: -30.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -522.368705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.368705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.368705 (E_RNA) where: Base-Base interactions energy: -243.336 where: short stacking energy: -156.785 Base-Backbone interact. energy: 2.127 local terms energy: -281.158767 where: bonds (distance) C4'-P energy: -81.315 bonds (distance) P-C4' energy: -80.200 flat angles C4'-P-C4' energy: -68.798 flat angles P-C4'-P energy: -41.807 tors. eta vs tors. theta energy: -9.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -476.040740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.040740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.040740 (E_RNA) where: Base-Base interactions energy: -220.953 where: short stacking energy: -133.485 Base-Backbone interact. energy: 2.044 local terms energy: -257.131548 where: bonds (distance) C4'-P energy: -87.767 bonds (distance) P-C4' energy: -73.261 flat angles C4'-P-C4' energy: -53.433 flat angles P-C4'-P energy: -48.960 tors. eta vs tors. theta energy: 6.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1371.542485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.542485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.542485 (E_RNA) where: Base-Base interactions energy: -903.162 where: short stacking energy: -423.529 Base-Backbone interact. energy: -0.848 local terms energy: -467.533285 where: bonds (distance) C4'-P energy: -92.718 bonds (distance) P-C4' energy: -89.742 flat angles C4'-P-C4' energy: -104.683 flat angles P-C4'-P energy: -65.536 tors. eta vs tors. theta energy: -114.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1235.029586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.029586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.029586 (E_RNA) where: Base-Base interactions energy: -801.686 where: short stacking energy: -376.019 Base-Backbone interact. energy: -2.842 local terms energy: -430.502190 where: bonds (distance) C4'-P energy: -95.393 bonds (distance) P-C4' energy: -99.806 flat angles C4'-P-C4' energy: -89.524 flat angles P-C4'-P energy: -48.672 tors. eta vs tors. theta energy: -97.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1163.205981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.205981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.205981 (E_RNA) where: Base-Base interactions energy: -744.693 where: short stacking energy: -352.826 Base-Backbone interact. energy: -2.159 local terms energy: -416.353688 where: bonds (distance) C4'-P energy: -78.522 bonds (distance) P-C4' energy: -101.165 flat angles C4'-P-C4' energy: -94.164 flat angles P-C4'-P energy: -57.621 tors. eta vs tors. theta energy: -84.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1026.880095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.880095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.880095 (E_RNA) where: Base-Base interactions energy: -630.280 where: short stacking energy: -351.509 Base-Backbone interact. energy: 5.640 local terms energy: -402.239427 where: bonds (distance) C4'-P energy: -82.481 bonds (distance) P-C4' energy: -81.673 flat angles C4'-P-C4' energy: -99.137 flat angles P-C4'-P energy: -57.776 tors. eta vs tors. theta energy: -81.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -926.812831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.812831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.812831 (E_RNA) where: Base-Base interactions energy: -549.972 where: short stacking energy: -271.588 Base-Backbone interact. energy: -3.250 local terms energy: -373.591471 where: bonds (distance) C4'-P energy: -84.344 bonds (distance) P-C4' energy: -81.510 flat angles C4'-P-C4' energy: -94.890 flat angles P-C4'-P energy: -51.952 tors. eta vs tors. theta energy: -60.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -764.836144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.836144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.836144 (E_RNA) where: Base-Base interactions energy: -432.369 where: short stacking energy: -248.795 Base-Backbone interact. energy: 2.373 local terms energy: -334.840336 where: bonds (distance) C4'-P energy: -72.077 bonds (distance) P-C4' energy: -83.559 flat angles C4'-P-C4' energy: -82.942 flat angles P-C4'-P energy: -56.942 tors. eta vs tors. theta energy: -39.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -820.337930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.337930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.337930 (E_RNA) where: Base-Base interactions energy: -466.102 where: short stacking energy: -254.584 Base-Backbone interact. energy: -2.522 local terms energy: -351.713665 where: bonds (distance) C4'-P energy: -88.584 bonds (distance) P-C4' energy: -92.734 flat angles C4'-P-C4' energy: -81.383 flat angles P-C4'-P energy: -46.525 tors. eta vs tors. theta energy: -42.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -663.308616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.308616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.308616 (E_RNA) where: Base-Base interactions energy: -370.954 where: short stacking energy: -203.889 Base-Backbone interact. energy: -3.955 local terms energy: -288.399338 where: bonds (distance) C4'-P energy: -70.072 bonds (distance) P-C4' energy: -78.849 flat angles C4'-P-C4' energy: -79.896 flat angles P-C4'-P energy: -37.285 tors. eta vs tors. theta energy: -22.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -538.426965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.426965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.426965 (E_RNA) where: Base-Base interactions energy: -256.804 where: short stacking energy: -155.597 Base-Backbone interact. energy: -0.438 local terms energy: -281.184658 where: bonds (distance) C4'-P energy: -84.648 bonds (distance) P-C4' energy: -67.884 flat angles C4'-P-C4' energy: -78.752 flat angles P-C4'-P energy: -33.842 tors. eta vs tors. theta energy: -16.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -417.347716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.347716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.347716 (E_RNA) where: Base-Base interactions energy: -164.662 where: short stacking energy: -114.813 Base-Backbone interact. energy: 5.242 local terms energy: -257.927642 where: bonds (distance) C4'-P energy: -72.589 bonds (distance) P-C4' energy: -69.361 flat angles C4'-P-C4' energy: -77.677 flat angles P-C4'-P energy: -34.319 tors. eta vs tors. theta energy: -3.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1368.154513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.154513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.154513 (E_RNA) where: Base-Base interactions energy: -907.616 where: short stacking energy: -409.655 Base-Backbone interact. energy: -1.853 local terms energy: -458.685550 where: bonds (distance) C4'-P energy: -84.014 bonds (distance) P-C4' energy: -94.887 flat angles C4'-P-C4' energy: -97.426 flat angles P-C4'-P energy: -62.389 tors. eta vs tors. theta energy: -119.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1270.865881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.865881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.865881 (E_RNA) where: Base-Base interactions energy: -818.663 where: short stacking energy: -397.402 Base-Backbone interact. energy: -3.248 local terms energy: -448.954857 where: bonds (distance) C4'-P energy: -79.001 bonds (distance) P-C4' energy: -99.102 flat angles C4'-P-C4' energy: -102.425 flat angles P-C4'-P energy: -65.096 tors. eta vs tors. theta energy: -103.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1194.713247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.713247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.713247 (E_RNA) where: Base-Base interactions energy: -767.086 where: short stacking energy: -342.245 Base-Backbone interact. energy: 1.135 local terms energy: -428.762560 where: bonds (distance) C4'-P energy: -91.570 bonds (distance) P-C4' energy: -95.503 flat angles C4'-P-C4' energy: -99.312 flat angles P-C4'-P energy: -55.987 tors. eta vs tors. theta energy: -86.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -1111.584014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.584014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.584014 (E_RNA) where: Base-Base interactions energy: -678.719 where: short stacking energy: -343.398 Base-Backbone interact. energy: -2.154 local terms energy: -430.711394 where: bonds (distance) C4'-P energy: -81.686 bonds (distance) P-C4' energy: -90.815 flat angles C4'-P-C4' energy: -101.410 flat angles P-C4'-P energy: -64.704 tors. eta vs tors. theta energy: -92.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -922.426057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.426057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.426057 (E_RNA) where: Base-Base interactions energy: -542.283 where: short stacking energy: -279.852 Base-Backbone interact. energy: 1.639 local terms energy: -381.781711 where: bonds (distance) C4'-P energy: -84.037 bonds (distance) P-C4' energy: -96.710 flat angles C4'-P-C4' energy: -89.110 flat angles P-C4'-P energy: -52.964 tors. eta vs tors. theta energy: -58.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -720.881452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.881452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.881452 (E_RNA) where: Base-Base interactions energy: -397.506 where: short stacking energy: -236.345 Base-Backbone interact. energy: 3.367 local terms energy: -326.742636 where: bonds (distance) C4'-P energy: -77.737 bonds (distance) P-C4' energy: -84.747 flat angles C4'-P-C4' energy: -84.054 flat angles P-C4'-P energy: -52.031 tors. eta vs tors. theta energy: -28.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -776.095025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.095025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.095025 (E_RNA) where: Base-Base interactions energy: -475.087 where: short stacking energy: -238.868 Base-Backbone interact. energy: -1.426 local terms energy: -299.581410 where: bonds (distance) C4'-P energy: -78.557 bonds (distance) P-C4' energy: -64.497 flat angles C4'-P-C4' energy: -72.198 flat angles P-C4'-P energy: -50.071 tors. eta vs tors. theta energy: -34.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -668.785318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.785318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.785318 (E_RNA) where: Base-Base interactions energy: -366.292 where: short stacking energy: -212.964 Base-Backbone interact. energy: -1.432 local terms energy: -301.061347 where: bonds (distance) C4'-P energy: -72.403 bonds (distance) P-C4' energy: -80.032 flat angles C4'-P-C4' energy: -78.461 flat angles P-C4'-P energy: -41.675 tors. eta vs tors. theta energy: -28.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -508.276639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.276639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.276639 (E_RNA) where: Base-Base interactions energy: -242.978 where: short stacking energy: -131.991 Base-Backbone interact. energy: 1.990 local terms energy: -267.288899 where: bonds (distance) C4'-P energy: -83.178 bonds (distance) P-C4' energy: -86.633 flat angles C4'-P-C4' energy: -69.492 flat angles P-C4'-P energy: -44.883 tors. eta vs tors. theta energy: 16.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -395.399250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.399250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.399250 (E_RNA) where: Base-Base interactions energy: -161.212 where: short stacking energy: -126.285 Base-Backbone interact. energy: -2.349 local terms energy: -231.838130 where: bonds (distance) C4'-P energy: -78.412 bonds (distance) P-C4' energy: -74.689 flat angles C4'-P-C4' energy: -58.458 flat angles P-C4'-P energy: -36.268 tors. eta vs tors. theta energy: 15.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1372.175053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.175053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.175053 (E_RNA) where: Base-Base interactions energy: -885.010 where: short stacking energy: -431.109 Base-Backbone interact. energy: -0.196 local terms energy: -486.968832 where: bonds (distance) C4'-P energy: -99.103 bonds (distance) P-C4' energy: -94.912 flat angles C4'-P-C4' energy: -100.171 flat angles P-C4'-P energy: -74.764 tors. eta vs tors. theta energy: -118.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1222.862032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.862032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.862032 (E_RNA) where: Base-Base interactions energy: -784.281 where: short stacking energy: -383.874 Base-Backbone interact. energy: 2.275 local terms energy: -440.856277 where: bonds (distance) C4'-P energy: -83.559 bonds (distance) P-C4' energy: -88.395 flat angles C4'-P-C4' energy: -95.171 flat angles P-C4'-P energy: -76.290 tors. eta vs tors. theta energy: -97.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1233.744123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.744123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.744123 (E_RNA) where: Base-Base interactions energy: -794.283 where: short stacking energy: -371.487 Base-Backbone interact. energy: -2.290 local terms energy: -437.170514 where: bonds (distance) C4'-P energy: -85.303 bonds (distance) P-C4' energy: -79.818 flat angles C4'-P-C4' energy: -100.090 flat angles P-C4'-P energy: -75.730 tors. eta vs tors. theta energy: -96.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1109.695985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.695985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.695985 (E_RNA) where: Base-Base interactions energy: -713.386 where: short stacking energy: -353.245 Base-Backbone interact. energy: 0.346 local terms energy: -396.656253 where: bonds (distance) C4'-P energy: -67.197 bonds (distance) P-C4' energy: -96.946 flat angles C4'-P-C4' energy: -81.726 flat angles P-C4'-P energy: -57.598 tors. eta vs tors. theta energy: -93.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1010.238316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.238316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.238316 (E_RNA) where: Base-Base interactions energy: -622.997 where: short stacking energy: -305.446 Base-Backbone interact. energy: -0.771 local terms energy: -386.470748 where: bonds (distance) C4'-P energy: -90.698 bonds (distance) P-C4' energy: -87.964 flat angles C4'-P-C4' energy: -95.410 flat angles P-C4'-P energy: -49.469 tors. eta vs tors. theta energy: -62.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -876.484260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.484260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.484260 (E_RNA) where: Base-Base interactions energy: -495.585 where: short stacking energy: -274.411 Base-Backbone interact. energy: -0.081 local terms energy: -380.818298 where: bonds (distance) C4'-P energy: -85.241 bonds (distance) P-C4' energy: -96.515 flat angles C4'-P-C4' energy: -87.950 flat angles P-C4'-P energy: -55.154 tors. eta vs tors. theta energy: -55.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -694.948364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.948364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.948364 (E_RNA) where: Base-Base interactions energy: -371.091 where: short stacking energy: -194.684 Base-Backbone interact. energy: -0.279 local terms energy: -323.577961 where: bonds (distance) C4'-P energy: -87.252 bonds (distance) P-C4' energy: -86.240 flat angles C4'-P-C4' energy: -79.416 flat angles P-C4'-P energy: -46.045 tors. eta vs tors. theta energy: -24.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -609.976538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.976538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.976538 (E_RNA) where: Base-Base interactions energy: -330.273 where: short stacking energy: -172.014 Base-Backbone interact. energy: 3.519 local terms energy: -283.222640 where: bonds (distance) C4'-P energy: -87.299 bonds (distance) P-C4' energy: -78.273 flat angles C4'-P-C4' energy: -68.908 flat angles P-C4'-P energy: -36.946 tors. eta vs tors. theta energy: -11.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -529.666647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.666647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.666647 (E_RNA) where: Base-Base interactions energy: -253.227 where: short stacking energy: -140.846 Base-Backbone interact. energy: -1.672 local terms energy: -274.767583 where: bonds (distance) C4'-P energy: -79.129 bonds (distance) P-C4' energy: -87.070 flat angles C4'-P-C4' energy: -67.739 flat angles P-C4'-P energy: -31.309 tors. eta vs tors. theta energy: -9.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -389.692084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.692084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.692084 (E_RNA) where: Base-Base interactions energy: -130.942 where: short stacking energy: -108.336 Base-Backbone interact. energy: -0.093 local terms energy: -258.657056 where: bonds (distance) C4'-P energy: -87.066 bonds (distance) P-C4' energy: -78.663 flat angles C4'-P-C4' energy: -61.169 flat angles P-C4'-P energy: -41.197 tors. eta vs tors. theta energy: 9.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1410.095477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.095477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.095477 (E_RNA) where: Base-Base interactions energy: -936.904 where: short stacking energy: -426.805 Base-Backbone interact. energy: -0.821 local terms energy: -472.370547 where: bonds (distance) C4'-P energy: -93.405 bonds (distance) P-C4' energy: -91.344 flat angles C4'-P-C4' energy: -103.675 flat angles P-C4'-P energy: -63.383 tors. eta vs tors. theta energy: -120.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1244.244342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.244342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.244342 (E_RNA) where: Base-Base interactions energy: -805.409 where: short stacking energy: -382.624 Base-Backbone interact. energy: 3.388 local terms energy: -442.223962 where: bonds (distance) C4'-P energy: -99.677 bonds (distance) P-C4' energy: -91.367 flat angles C4'-P-C4' energy: -101.298 flat angles P-C4'-P energy: -56.680 tors. eta vs tors. theta energy: -93.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1234.378213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.378213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.378213 (E_RNA) where: Base-Base interactions energy: -812.020 where: short stacking energy: -370.647 Base-Backbone interact. energy: 1.146 local terms energy: -423.503630 where: bonds (distance) C4'-P energy: -90.444 bonds (distance) P-C4' energy: -84.423 flat angles C4'-P-C4' energy: -86.879 flat angles P-C4'-P energy: -62.398 tors. eta vs tors. theta energy: -99.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1093.745475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.745475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.745475 (E_RNA) where: Base-Base interactions energy: -713.183 where: short stacking energy: -355.362 Base-Backbone interact. energy: 1.874 local terms energy: -382.436227 where: bonds (distance) C4'-P energy: -79.419 bonds (distance) P-C4' energy: -96.400 flat angles C4'-P-C4' energy: -90.456 flat angles P-C4'-P energy: -38.717 tors. eta vs tors. theta energy: -77.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1020.292486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.292486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.292486 (E_RNA) where: Base-Base interactions energy: -631.570 where: short stacking energy: -317.534 Base-Backbone interact. energy: -5.653 local terms energy: -383.069300 where: bonds (distance) C4'-P energy: -73.122 bonds (distance) P-C4' energy: -97.854 flat angles C4'-P-C4' energy: -77.053 flat angles P-C4'-P energy: -57.736 tors. eta vs tors. theta energy: -77.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -898.960782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.960782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.960782 (E_RNA) where: Base-Base interactions energy: -551.232 where: short stacking energy: -262.565 Base-Backbone interact. energy: -1.726 local terms energy: -346.002250 where: bonds (distance) C4'-P energy: -72.037 bonds (distance) P-C4' energy: -78.517 flat angles C4'-P-C4' energy: -86.206 flat angles P-C4'-P energy: -55.825 tors. eta vs tors. theta energy: -53.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -688.608072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.608072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.608072 (E_RNA) where: Base-Base interactions energy: -378.204 where: short stacking energy: -196.110 Base-Backbone interact. energy: -3.226 local terms energy: -307.177946 where: bonds (distance) C4'-P energy: -68.621 bonds (distance) P-C4' energy: -91.143 flat angles C4'-P-C4' energy: -83.520 flat angles P-C4'-P energy: -47.948 tors. eta vs tors. theta energy: -15.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -661.090464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.090464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.090464 (E_RNA) where: Base-Base interactions energy: -364.744 where: short stacking energy: -210.384 Base-Backbone interact. energy: 0.973 local terms energy: -297.319152 where: bonds (distance) C4'-P energy: -54.069 bonds (distance) P-C4' energy: -84.043 flat angles C4'-P-C4' energy: -76.111 flat angles P-C4'-P energy: -55.139 tors. eta vs tors. theta energy: -27.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -484.150275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.150275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.150275 (E_RNA) where: Base-Base interactions energy: -228.289 where: short stacking energy: -139.006 Base-Backbone interact. energy: -1.211 local terms energy: -254.649691 where: bonds (distance) C4'-P energy: -86.730 bonds (distance) P-C4' energy: -78.186 flat angles C4'-P-C4' energy: -76.363 flat angles P-C4'-P energy: -36.658 tors. eta vs tors. theta energy: 23.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -380.014191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.014191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.014191 (E_RNA) where: Base-Base interactions energy: -131.355 where: short stacking energy: -109.721 Base-Backbone interact. energy: 2.072 local terms energy: -250.730566 where: bonds (distance) C4'-P energy: -79.231 bonds (distance) P-C4' energy: -83.599 flat angles C4'-P-C4' energy: -54.049 flat angles P-C4'-P energy: -37.607 tors. eta vs tors. theta energy: 3.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1414.762018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.762018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.762018 (E_RNA) where: Base-Base interactions energy: -944.251 where: short stacking energy: -427.060 Base-Backbone interact. energy: -1.621 local terms energy: -468.890173 where: bonds (distance) C4'-P energy: -84.595 bonds (distance) P-C4' energy: -89.026 flat angles C4'-P-C4' energy: -100.946 flat angles P-C4'-P energy: -68.284 tors. eta vs tors. theta energy: -126.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1282.453377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.453377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.453377 (E_RNA) where: Base-Base interactions energy: -843.500 where: short stacking energy: -390.088 Base-Backbone interact. energy: -0.930 local terms energy: -438.023241 where: bonds (distance) C4'-P energy: -82.981 bonds (distance) P-C4' energy: -98.524 flat angles C4'-P-C4' energy: -101.053 flat angles P-C4'-P energy: -58.887 tors. eta vs tors. theta energy: -96.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1241.008345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.008345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.008345 (E_RNA) where: Base-Base interactions energy: -819.175 where: short stacking energy: -359.512 Base-Backbone interact. energy: 3.405 local terms energy: -425.238309 where: bonds (distance) C4'-P energy: -84.492 bonds (distance) P-C4' energy: -88.224 flat angles C4'-P-C4' energy: -100.089 flat angles P-C4'-P energy: -66.907 tors. eta vs tors. theta energy: -85.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1144.830355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.830355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.830355 (E_RNA) where: Base-Base interactions energy: -735.811 where: short stacking energy: -366.054 Base-Backbone interact. energy: -1.654 local terms energy: -407.365462 where: bonds (distance) C4'-P energy: -87.529 bonds (distance) P-C4' energy: -94.814 flat angles C4'-P-C4' energy: -81.675 flat angles P-C4'-P energy: -49.511 tors. eta vs tors. theta energy: -93.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1044.477743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.477743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.477743 (E_RNA) where: Base-Base interactions energy: -636.557 where: short stacking energy: -316.591 Base-Backbone interact. energy: -2.924 local terms energy: -404.996081 where: bonds (distance) C4'-P energy: -89.078 bonds (distance) P-C4' energy: -86.896 flat angles C4'-P-C4' energy: -98.252 flat angles P-C4'-P energy: -60.688 tors. eta vs tors. theta energy: -70.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -993.023264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.023264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.023264 (E_RNA) where: Base-Base interactions energy: -621.190 where: short stacking energy: -309.528 Base-Backbone interact. energy: -0.933 local terms energy: -370.899924 where: bonds (distance) C4'-P energy: -85.281 bonds (distance) P-C4' energy: -77.973 flat angles C4'-P-C4' energy: -83.613 flat angles P-C4'-P energy: -57.232 tors. eta vs tors. theta energy: -66.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -705.201885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.201885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.201885 (E_RNA) where: Base-Base interactions energy: -410.485 where: short stacking energy: -226.304 Base-Backbone interact. energy: -1.548 local terms energy: -293.168905 where: bonds (distance) C4'-P energy: -77.562 bonds (distance) P-C4' energy: -69.931 flat angles C4'-P-C4' energy: -79.512 flat angles P-C4'-P energy: -39.584 tors. eta vs tors. theta energy: -26.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -698.197250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.197250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.197250 (E_RNA) where: Base-Base interactions energy: -399.581 where: short stacking energy: -224.048 Base-Backbone interact. energy: 1.951 local terms energy: -300.567762 where: bonds (distance) C4'-P energy: -77.587 bonds (distance) P-C4' energy: -85.518 flat angles C4'-P-C4' energy: -59.342 flat angles P-C4'-P energy: -46.904 tors. eta vs tors. theta energy: -31.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -505.592283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.592283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.592283 (E_RNA) where: Base-Base interactions energy: -219.836 where: short stacking energy: -156.076 Base-Backbone interact. energy: -3.238 local terms energy: -282.518385 where: bonds (distance) C4'-P energy: -76.098 bonds (distance) P-C4' energy: -71.628 flat angles C4'-P-C4' energy: -71.473 flat angles P-C4'-P energy: -48.945 tors. eta vs tors. theta energy: -14.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -386.961155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.961155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.961155 (E_RNA) where: Base-Base interactions energy: -140.294 where: short stacking energy: -108.429 Base-Backbone interact. energy: -1.907 local terms energy: -244.760065 where: bonds (distance) C4'-P energy: -76.767 bonds (distance) P-C4' energy: -70.122 flat angles C4'-P-C4' energy: -69.603 flat angles P-C4'-P energy: -35.835 tors. eta vs tors. theta energy: 7.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1446.273539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.273539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.273539 (E_RNA) where: Base-Base interactions energy: -945.710 where: short stacking energy: -455.683 Base-Backbone interact. energy: 2.879 local terms energy: -503.441581 where: bonds (distance) C4'-P energy: -93.151 bonds (distance) P-C4' energy: -91.845 flat angles C4'-P-C4' energy: -113.189 flat angles P-C4'-P energy: -67.930 tors. eta vs tors. theta energy: -137.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1290.092478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.092478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.092478 (E_RNA) where: Base-Base interactions energy: -817.082 where: short stacking energy: -403.313 Base-Backbone interact. energy: -4.386 local terms energy: -468.623928 where: bonds (distance) C4'-P energy: -94.515 bonds (distance) P-C4' energy: -91.747 flat angles C4'-P-C4' energy: -97.577 flat angles P-C4'-P energy: -73.901 tors. eta vs tors. theta energy: -110.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1286.410412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.410412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.410412 (E_RNA) where: Base-Base interactions energy: -848.614 where: short stacking energy: -378.242 Base-Backbone interact. energy: -2.620 local terms energy: -435.176022 where: bonds (distance) C4'-P energy: -97.618 bonds (distance) P-C4' energy: -79.648 flat angles C4'-P-C4' energy: -108.335 flat angles P-C4'-P energy: -55.132 tors. eta vs tors. theta energy: -94.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1151.148163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.148163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.148163 (E_RNA) where: Base-Base interactions energy: -734.210 where: short stacking energy: -351.379 Base-Backbone interact. energy: -5.042 local terms energy: -411.896160 where: bonds (distance) C4'-P energy: -83.679 bonds (distance) P-C4' energy: -91.632 flat angles C4'-P-C4' energy: -101.188 flat angles P-C4'-P energy: -56.719 tors. eta vs tors. theta energy: -78.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1094.019910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.019910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.019910 (E_RNA) where: Base-Base interactions energy: -686.908 where: short stacking energy: -335.662 Base-Backbone interact. energy: -1.569 local terms energy: -405.542735 where: bonds (distance) C4'-P energy: -77.631 bonds (distance) P-C4' energy: -96.032 flat angles C4'-P-C4' energy: -88.045 flat angles P-C4'-P energy: -52.554 tors. eta vs tors. theta energy: -91.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -958.813616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.813616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.813616 (E_RNA) where: Base-Base interactions energy: -593.782 where: short stacking energy: -281.670 Base-Backbone interact. energy: -1.549 local terms energy: -363.482199 where: bonds (distance) C4'-P energy: -82.861 bonds (distance) P-C4' energy: -84.757 flat angles C4'-P-C4' energy: -86.433 flat angles P-C4'-P energy: -46.528 tors. eta vs tors. theta energy: -62.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -699.974134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.974134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.974134 (E_RNA) where: Base-Base interactions energy: -393.918 where: short stacking energy: -218.040 Base-Backbone interact. energy: 1.020 local terms energy: -307.076939 where: bonds (distance) C4'-P energy: -59.317 bonds (distance) P-C4' energy: -85.903 flat angles C4'-P-C4' energy: -73.747 flat angles P-C4'-P energy: -56.443 tors. eta vs tors. theta energy: -31.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -657.735832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.735832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.735832 (E_RNA) where: Base-Base interactions energy: -342.134 where: short stacking energy: -190.445 Base-Backbone interact. energy: -1.349 local terms energy: -314.252700 where: bonds (distance) C4'-P energy: -74.783 bonds (distance) P-C4' energy: -81.909 flat angles C4'-P-C4' energy: -81.684 flat angles P-C4'-P energy: -41.826 tors. eta vs tors. theta energy: -34.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -503.184287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.184287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.184287 (E_RNA) where: Base-Base interactions energy: -234.083 where: short stacking energy: -148.775 Base-Backbone interact. energy: 7.387 local terms energy: -276.488169 where: bonds (distance) C4'-P energy: -91.036 bonds (distance) P-C4' energy: -83.287 flat angles C4'-P-C4' energy: -78.733 flat angles P-C4'-P energy: -28.820 tors. eta vs tors. theta energy: 5.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -427.058406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.058406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.058406 (E_RNA) where: Base-Base interactions energy: -163.109 where: short stacking energy: -117.293 Base-Backbone interact. energy: -0.067 local terms energy: -263.881705 where: bonds (distance) C4'-P energy: -70.586 bonds (distance) P-C4' energy: -88.548 flat angles C4'-P-C4' energy: -76.474 flat angles P-C4'-P energy: -43.116 tors. eta vs tors. theta energy: 14.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1450.909180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.909180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.909180 (E_RNA) where: Base-Base interactions energy: -987.889 where: short stacking energy: -422.594 Base-Backbone interact. energy: 1.056 local terms energy: -464.076330 where: bonds (distance) C4'-P energy: -94.573 bonds (distance) P-C4' energy: -80.242 flat angles C4'-P-C4' energy: -108.872 flat angles P-C4'-P energy: -54.304 tors. eta vs tors. theta energy: -126.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1334.951373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.951373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.951373 (E_RNA) where: Base-Base interactions energy: -875.681 where: short stacking energy: -419.084 Base-Backbone interact. energy: -1.470 local terms energy: -457.800206 where: bonds (distance) C4'-P energy: -89.467 bonds (distance) P-C4' energy: -104.431 flat angles C4'-P-C4' energy: -95.838 flat angles P-C4'-P energy: -59.394 tors. eta vs tors. theta energy: -108.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1241.105243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.105243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.105243 (E_RNA) where: Base-Base interactions energy: -790.067 where: short stacking energy: -384.176 Base-Backbone interact. energy: -4.258 local terms energy: -446.780412 where: bonds (distance) C4'-P energy: -80.314 bonds (distance) P-C4' energy: -83.391 flat angles C4'-P-C4' energy: -103.562 flat angles P-C4'-P energy: -69.524 tors. eta vs tors. theta energy: -109.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1167.242813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.242813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.242813 (E_RNA) where: Base-Base interactions energy: -771.103 where: short stacking energy: -370.503 Base-Backbone interact. energy: -2.633 local terms energy: -393.506714 where: bonds (distance) C4'-P energy: -81.086 bonds (distance) P-C4' energy: -78.030 flat angles C4'-P-C4' energy: -91.624 flat angles P-C4'-P energy: -46.929 tors. eta vs tors. theta energy: -95.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1080.612470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.612470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.612470 (E_RNA) where: Base-Base interactions energy: -658.413 where: short stacking energy: -331.535 Base-Backbone interact. energy: -2.337 local terms energy: -419.862876 where: bonds (distance) C4'-P energy: -85.368 bonds (distance) P-C4' energy: -99.952 flat angles C4'-P-C4' energy: -94.262 flat angles P-C4'-P energy: -51.741 tors. eta vs tors. theta energy: -88.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -984.342961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.342961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.342961 (E_RNA) where: Base-Base interactions energy: -610.520 where: short stacking energy: -272.303 Base-Backbone interact. energy: -2.141 local terms energy: -371.681607 where: bonds (distance) C4'-P energy: -95.694 bonds (distance) P-C4' energy: -91.507 flat angles C4'-P-C4' energy: -89.020 flat angles P-C4'-P energy: -50.022 tors. eta vs tors. theta energy: -45.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -692.018230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.018230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.018230 (E_RNA) where: Base-Base interactions energy: -394.207 where: short stacking energy: -220.710 Base-Backbone interact. energy: 3.085 local terms energy: -300.896667 where: bonds (distance) C4'-P energy: -65.872 bonds (distance) P-C4' energy: -70.402 flat angles C4'-P-C4' energy: -75.520 flat angles P-C4'-P energy: -45.240 tors. eta vs tors. theta energy: -43.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -692.519122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.519122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.519122 (E_RNA) where: Base-Base interactions energy: -368.660 where: short stacking energy: -204.137 Base-Backbone interact. energy: -1.489 local terms energy: -322.370200 where: bonds (distance) C4'-P energy: -71.768 bonds (distance) P-C4' energy: -85.591 flat angles C4'-P-C4' energy: -90.165 flat angles P-C4'-P energy: -45.447 tors. eta vs tors. theta energy: -29.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -458.546214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.546214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.546214 (E_RNA) where: Base-Base interactions energy: -197.099 where: short stacking energy: -124.887 Base-Backbone interact. energy: 0.024 local terms energy: -261.471234 where: bonds (distance) C4'-P energy: -71.407 bonds (distance) P-C4' energy: -87.527 flat angles C4'-P-C4' energy: -70.174 flat angles P-C4'-P energy: -45.225 tors. eta vs tors. theta energy: 12.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -400.298693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.298693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.298693 (E_RNA) where: Base-Base interactions energy: -173.686 where: short stacking energy: -98.481 Base-Backbone interact. energy: 0.202 local terms energy: -226.815608 where: bonds (distance) C4'-P energy: -70.138 bonds (distance) P-C4' energy: -72.774 flat angles C4'-P-C4' energy: -82.205 flat angles P-C4'-P energy: -30.645 tors. eta vs tors. theta energy: 28.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1420.532079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.532079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.532079 (E_RNA) where: Base-Base interactions energy: -955.781 where: short stacking energy: -424.866 Base-Backbone interact. energy: -1.566 local terms energy: -463.184790 where: bonds (distance) C4'-P energy: -76.146 bonds (distance) P-C4' energy: -96.573 flat angles C4'-P-C4' energy: -101.935 flat angles P-C4'-P energy: -68.490 tors. eta vs tors. theta energy: -120.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1334.146810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.146810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.146810 (E_RNA) where: Base-Base interactions energy: -897.928 where: short stacking energy: -403.601 Base-Backbone interact. energy: 2.979 local terms energy: -439.197935 where: bonds (distance) C4'-P energy: -85.738 bonds (distance) P-C4' energy: -84.707 flat angles C4'-P-C4' energy: -104.509 flat angles P-C4'-P energy: -60.027 tors. eta vs tors. theta energy: -104.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1262.342004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.342004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.342004 (E_RNA) where: Base-Base interactions energy: -828.681 where: short stacking energy: -374.749 Base-Backbone interact. energy: -2.868 local terms energy: -430.793859 where: bonds (distance) C4'-P energy: -80.412 bonds (distance) P-C4' energy: -95.094 flat angles C4'-P-C4' energy: -98.602 flat angles P-C4'-P energy: -63.072 tors. eta vs tors. theta energy: -93.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1183.664442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.664442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.664442 (E_RNA) where: Base-Base interactions energy: -778.952 where: short stacking energy: -373.423 Base-Backbone interact. energy: -1.538 local terms energy: -403.173922 where: bonds (distance) C4'-P energy: -75.340 bonds (distance) P-C4' energy: -85.710 flat angles C4'-P-C4' energy: -84.674 flat angles P-C4'-P energy: -57.278 tors. eta vs tors. theta energy: -100.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1090.690084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.690084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.690084 (E_RNA) where: Base-Base interactions energy: -655.820 where: short stacking energy: -333.546 Base-Backbone interact. energy: -1.406 local terms energy: -433.463997 where: bonds (distance) C4'-P energy: -89.248 bonds (distance) P-C4' energy: -78.469 flat angles C4'-P-C4' energy: -99.020 flat angles P-C4'-P energy: -71.901 tors. eta vs tors. theta energy: -94.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -979.668836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.668836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.668836 (E_RNA) where: Base-Base interactions energy: -604.785 where: short stacking energy: -294.121 Base-Backbone interact. energy: -2.095 local terms energy: -372.788841 where: bonds (distance) C4'-P energy: -72.680 bonds (distance) P-C4' energy: -91.502 flat angles C4'-P-C4' energy: -89.320 flat angles P-C4'-P energy: -58.539 tors. eta vs tors. theta energy: -60.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -722.842941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.842941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.842941 (E_RNA) where: Base-Base interactions energy: -411.278 where: short stacking energy: -200.053 Base-Backbone interact. energy: -0.285 local terms energy: -311.280111 where: bonds (distance) C4'-P energy: -81.361 bonds (distance) P-C4' energy: -87.191 flat angles C4'-P-C4' energy: -84.908 flat angles P-C4'-P energy: -49.797 tors. eta vs tors. theta energy: -8.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -602.795882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.795882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.795882 (E_RNA) where: Base-Base interactions energy: -329.071 where: short stacking energy: -197.675 Base-Backbone interact. energy: -1.467 local terms energy: -272.258818 where: bonds (distance) C4'-P energy: -74.577 bonds (distance) P-C4' energy: -78.504 flat angles C4'-P-C4' energy: -81.450 flat angles P-C4'-P energy: -29.362 tors. eta vs tors. theta energy: -8.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -486.663042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.663042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.663042 (E_RNA) where: Base-Base interactions energy: -219.685 where: short stacking energy: -138.340 Base-Backbone interact. energy: 2.683 local terms energy: -269.661000 where: bonds (distance) C4'-P energy: -69.173 bonds (distance) P-C4' energy: -89.047 flat angles C4'-P-C4' energy: -78.993 flat angles P-C4'-P energy: -42.667 tors. eta vs tors. theta energy: 10.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -419.151020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.151020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.151020 (E_RNA) where: Base-Base interactions energy: -164.310 where: short stacking energy: -104.517 Base-Backbone interact. energy: 3.476 local terms energy: -258.316451 where: bonds (distance) C4'-P energy: -80.671 bonds (distance) P-C4' energy: -76.624 flat angles C4'-P-C4' energy: -76.569 flat angles P-C4'-P energy: -31.632 tors. eta vs tors. theta energy: 7.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1427.319474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.319474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.319474 (E_RNA) where: Base-Base interactions energy: -949.077 where: short stacking energy: -432.019 Base-Backbone interact. energy: -0.649 local terms energy: -477.593292 where: bonds (distance) C4'-P energy: -88.185 bonds (distance) P-C4' energy: -107.928 flat angles C4'-P-C4' energy: -101.282 flat angles P-C4'-P energy: -71.001 tors. eta vs tors. theta energy: -109.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1356.851857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.851857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.851857 (E_RNA) where: Base-Base interactions energy: -926.664 where: short stacking energy: -409.924 Base-Backbone interact. energy: -2.244 local terms energy: -427.943676 where: bonds (distance) C4'-P energy: -91.724 bonds (distance) P-C4' energy: -79.646 flat angles C4'-P-C4' energy: -91.187 flat angles P-C4'-P energy: -57.054 tors. eta vs tors. theta energy: -108.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1277.492232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.492232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.492232 (E_RNA) where: Base-Base interactions energy: -843.129 where: short stacking energy: -401.292 Base-Backbone interact. energy: 0.257 local terms energy: -434.621036 where: bonds (distance) C4'-P energy: -94.729 bonds (distance) P-C4' energy: -83.139 flat angles C4'-P-C4' energy: -94.202 flat angles P-C4'-P energy: -58.119 tors. eta vs tors. theta energy: -104.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1169.873838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.873838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.873838 (E_RNA) where: Base-Base interactions energy: -746.149 where: short stacking energy: -362.109 Base-Backbone interact. energy: 0.153 local terms energy: -423.877126 where: bonds (distance) C4'-P energy: -96.235 bonds (distance) P-C4' energy: -90.875 flat angles C4'-P-C4' energy: -91.695 flat angles P-C4'-P energy: -52.613 tors. eta vs tors. theta energy: -92.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1054.701770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.701770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.701770 (E_RNA) where: Base-Base interactions energy: -648.230 where: short stacking energy: -309.147 Base-Backbone interact. energy: -1.511 local terms energy: -404.960958 where: bonds (distance) C4'-P energy: -80.657 bonds (distance) P-C4' energy: -87.278 flat angles C4'-P-C4' energy: -95.351 flat angles P-C4'-P energy: -67.389 tors. eta vs tors. theta energy: -74.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -967.611472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.611472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.611472 (E_RNA) where: Base-Base interactions energy: -592.783 where: short stacking energy: -296.494 Base-Backbone interact. energy: -1.117 local terms energy: -373.711278 where: bonds (distance) C4'-P energy: -80.094 bonds (distance) P-C4' energy: -86.251 flat angles C4'-P-C4' energy: -84.102 flat angles P-C4'-P energy: -62.822 tors. eta vs tors. theta energy: -60.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -755.992863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.992863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.992863 (E_RNA) where: Base-Base interactions energy: -457.959 where: short stacking energy: -220.537 Base-Backbone interact. energy: -1.686 local terms energy: -296.347802 where: bonds (distance) C4'-P energy: -80.179 bonds (distance) P-C4' energy: -80.454 flat angles C4'-P-C4' energy: -73.855 flat angles P-C4'-P energy: -38.759 tors. eta vs tors. theta energy: -23.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -571.633439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.633439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.633439 (E_RNA) where: Base-Base interactions energy: -287.907 where: short stacking energy: -165.926 Base-Backbone interact. energy: 2.044 local terms energy: -285.770593 where: bonds (distance) C4'-P energy: -75.434 bonds (distance) P-C4' energy: -90.130 flat angles C4'-P-C4' energy: -85.144 flat angles P-C4'-P energy: -34.823 tors. eta vs tors. theta energy: -0.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -507.470240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.470240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.470240 (E_RNA) where: Base-Base interactions energy: -216.448 where: short stacking energy: -160.944 Base-Backbone interact. energy: -2.456 local terms energy: -288.565809 where: bonds (distance) C4'-P energy: -81.526 bonds (distance) P-C4' energy: -82.621 flat angles C4'-P-C4' energy: -79.346 flat angles P-C4'-P energy: -44.933 tors. eta vs tors. theta energy: -0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -445.406236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.406236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.406236 (E_RNA) where: Base-Base interactions energy: -203.243 where: short stacking energy: -148.661 Base-Backbone interact. energy: -1.893 local terms energy: -240.270422 where: bonds (distance) C4'-P energy: -78.842 bonds (distance) P-C4' energy: -56.791 flat angles C4'-P-C4' energy: -58.332 flat angles P-C4'-P energy: -40.196 tors. eta vs tors. theta energy: -6.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1423.574398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.574398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.574398 (E_RNA) where: Base-Base interactions energy: -963.503 where: short stacking energy: -421.532 Base-Backbone interact. energy: -0.746 local terms energy: -459.324973 where: bonds (distance) C4'-P energy: -93.203 bonds (distance) P-C4' energy: -95.527 flat angles C4'-P-C4' energy: -100.169 flat angles P-C4'-P energy: -61.876 tors. eta vs tors. theta energy: -108.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1367.099046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.099046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.099046 (E_RNA) where: Base-Base interactions energy: -919.341 where: short stacking energy: -403.732 Base-Backbone interact. energy: -3.827 local terms energy: -443.930238 where: bonds (distance) C4'-P energy: -86.063 bonds (distance) P-C4' energy: -95.888 flat angles C4'-P-C4' energy: -99.449 flat angles P-C4'-P energy: -55.847 tors. eta vs tors. theta energy: -106.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1262.879804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.879804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.879804 (E_RNA) where: Base-Base interactions energy: -809.483 where: short stacking energy: -386.198 Base-Backbone interact. energy: -6.287 local terms energy: -447.110119 where: bonds (distance) C4'-P energy: -96.302 bonds (distance) P-C4' energy: -97.461 flat angles C4'-P-C4' energy: -93.309 flat angles P-C4'-P energy: -52.164 tors. eta vs tors. theta energy: -107.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1204.615447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.615447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.615447 (E_RNA) where: Base-Base interactions energy: -767.047 where: short stacking energy: -388.590 Base-Backbone interact. energy: -1.875 local terms energy: -435.693113 where: bonds (distance) C4'-P energy: -79.566 bonds (distance) P-C4' energy: -74.940 flat angles C4'-P-C4' energy: -105.360 flat angles P-C4'-P energy: -59.522 tors. eta vs tors. theta energy: -116.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1077.390616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.390616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.390616 (E_RNA) where: Base-Base interactions energy: -676.202 where: short stacking energy: -325.476 Base-Backbone interact. energy: -1.623 local terms energy: -399.565220 where: bonds (distance) C4'-P energy: -81.357 bonds (distance) P-C4' energy: -84.102 flat angles C4'-P-C4' energy: -93.207 flat angles P-C4'-P energy: -51.991 tors. eta vs tors. theta energy: -88.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -951.887966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.887966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.887966 (E_RNA) where: Base-Base interactions energy: -590.772 where: short stacking energy: -273.188 Base-Backbone interact. energy: 0.418 local terms energy: -361.533859 where: bonds (distance) C4'-P energy: -75.977 bonds (distance) P-C4' energy: -91.249 flat angles C4'-P-C4' energy: -88.541 flat angles P-C4'-P energy: -48.596 tors. eta vs tors. theta energy: -57.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -761.132021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.132021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.132021 (E_RNA) where: Base-Base interactions energy: -440.543 where: short stacking energy: -215.326 Base-Backbone interact. energy: 2.165 local terms energy: -322.754113 where: bonds (distance) C4'-P energy: -72.708 bonds (distance) P-C4' energy: -88.646 flat angles C4'-P-C4' energy: -75.884 flat angles P-C4'-P energy: -55.437 tors. eta vs tors. theta energy: -30.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -574.321475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.321475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.321475 (E_RNA) where: Base-Base interactions energy: -298.616 where: short stacking energy: -201.509 Base-Backbone interact. energy: 1.386 local terms energy: -277.092336 where: bonds (distance) C4'-P energy: -74.955 bonds (distance) P-C4' energy: -69.019 flat angles C4'-P-C4' energy: -78.664 flat angles P-C4'-P energy: -42.665 tors. eta vs tors. theta energy: -11.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -545.598437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.598437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.598437 (E_RNA) where: Base-Base interactions energy: -290.413 where: short stacking energy: -183.937 Base-Backbone interact. energy: -0.422 local terms energy: -254.762966 where: bonds (distance) C4'-P energy: -81.810 bonds (distance) P-C4' energy: -75.152 flat angles C4'-P-C4' energy: -63.931 flat angles P-C4'-P energy: -20.716 tors. eta vs tors. theta energy: -13.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -449.897263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.897263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.897263 (E_RNA) where: Base-Base interactions energy: -205.598 where: short stacking energy: -139.277 Base-Backbone interact. energy: 1.391 local terms energy: -245.689872 where: bonds (distance) C4'-P energy: -71.984 bonds (distance) P-C4' energy: -87.432 flat angles C4'-P-C4' energy: -62.291 flat angles P-C4'-P energy: -25.783 tors. eta vs tors. theta energy: 1.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1432.302614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.302614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.302614 (E_RNA) where: Base-Base interactions energy: -908.241 where: short stacking energy: -438.876 Base-Backbone interact. energy: -1.898 local terms energy: -522.164570 where: bonds (distance) C4'-P energy: -112.149 bonds (distance) P-C4' energy: -98.684 flat angles C4'-P-C4' energy: -112.967 flat angles P-C4'-P energy: -65.930 tors. eta vs tors. theta energy: -132.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1358.355866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.355866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.355866 (E_RNA) where: Base-Base interactions energy: -891.559 where: short stacking energy: -411.341 Base-Backbone interact. energy: -3.547 local terms energy: -463.249680 where: bonds (distance) C4'-P energy: -99.230 bonds (distance) P-C4' energy: -94.488 flat angles C4'-P-C4' energy: -100.525 flat angles P-C4'-P energy: -64.574 tors. eta vs tors. theta energy: -104.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1262.023166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.023166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.023166 (E_RNA) where: Base-Base interactions energy: -828.602 where: short stacking energy: -388.761 Base-Backbone interact. energy: 1.242 local terms energy: -434.662299 where: bonds (distance) C4'-P energy: -85.730 bonds (distance) P-C4' energy: -90.592 flat angles C4'-P-C4' energy: -98.753 flat angles P-C4'-P energy: -61.416 tors. eta vs tors. theta energy: -98.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1207.827652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.827652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.827652 (E_RNA) where: Base-Base interactions energy: -772.816 where: short stacking energy: -381.127 Base-Backbone interact. energy: 0.770 local terms energy: -435.781390 where: bonds (distance) C4'-P energy: -82.441 bonds (distance) P-C4' energy: -85.837 flat angles C4'-P-C4' energy: -97.482 flat angles P-C4'-P energy: -64.878 tors. eta vs tors. theta energy: -105.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1110.187404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.187404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.187404 (E_RNA) where: Base-Base interactions energy: -727.647 where: short stacking energy: -350.246 Base-Backbone interact. energy: -1.031 local terms energy: -381.509579 where: bonds (distance) C4'-P energy: -64.548 bonds (distance) P-C4' energy: -80.519 flat angles C4'-P-C4' energy: -78.916 flat angles P-C4'-P energy: -53.258 tors. eta vs tors. theta energy: -104.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1023.224114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.224114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.224114 (E_RNA) where: Base-Base interactions energy: -620.850 where: short stacking energy: -306.173 Base-Backbone interact. energy: -3.541 local terms energy: -398.833421 where: bonds (distance) C4'-P energy: -90.924 bonds (distance) P-C4' energy: -88.166 flat angles C4'-P-C4' energy: -88.388 flat angles P-C4'-P energy: -48.548 tors. eta vs tors. theta energy: -82.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -812.008319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.008319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.008319 (E_RNA) where: Base-Base interactions energy: -490.458 where: short stacking energy: -238.265 Base-Backbone interact. energy: 5.863 local terms energy: -327.413652 where: bonds (distance) C4'-P energy: -93.498 bonds (distance) P-C4' energy: -82.254 flat angles C4'-P-C4' energy: -69.408 flat angles P-C4'-P energy: -43.914 tors. eta vs tors. theta energy: -38.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -542.845596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.845596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.845596 (E_RNA) where: Base-Base interactions energy: -263.121 where: short stacking energy: -158.088 Base-Backbone interact. energy: 0.658 local terms energy: -280.382694 where: bonds (distance) C4'-P energy: -79.861 bonds (distance) P-C4' energy: -85.631 flat angles C4'-P-C4' energy: -60.706 flat angles P-C4'-P energy: -45.504 tors. eta vs tors. theta energy: -8.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -505.676527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.676527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.676527 (E_RNA) where: Base-Base interactions energy: -207.756 where: short stacking energy: -136.429 Base-Backbone interact. energy: -1.362 local terms energy: -296.558184 where: bonds (distance) C4'-P energy: -78.440 bonds (distance) P-C4' energy: -91.519 flat angles C4'-P-C4' energy: -80.398 flat angles P-C4'-P energy: -40.181 tors. eta vs tors. theta energy: -6.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -378.435059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.435059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.435059 (E_RNA) where: Base-Base interactions energy: -142.266 where: short stacking energy: -115.232 Base-Backbone interact. energy: -3.324 local terms energy: -232.844846 where: bonds (distance) C4'-P energy: -71.552 bonds (distance) P-C4' energy: -67.733 flat angles C4'-P-C4' energy: -61.831 flat angles P-C4'-P energy: -34.114 tors. eta vs tors. theta energy: 2.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1463.800691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.800691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.800691 (E_RNA) where: Base-Base interactions energy: -974.692 where: short stacking energy: -433.196 Base-Backbone interact. energy: -0.558 local terms energy: -488.550682 where: bonds (distance) C4'-P energy: -97.525 bonds (distance) P-C4' energy: -97.922 flat angles C4'-P-C4' energy: -109.846 flat angles P-C4'-P energy: -61.610 tors. eta vs tors. theta energy: -121.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1385.686207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.686207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.686207 (E_RNA) where: Base-Base interactions energy: -903.860 where: short stacking energy: -413.409 Base-Backbone interact. energy: -2.066 local terms energy: -479.760198 where: bonds (distance) C4'-P energy: -80.317 bonds (distance) P-C4' energy: -110.354 flat angles C4'-P-C4' energy: -106.727 flat angles P-C4'-P energy: -59.723 tors. eta vs tors. theta energy: -122.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1339.259411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.259411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.259411 (E_RNA) where: Base-Base interactions energy: -884.370 where: short stacking energy: -419.740 Base-Backbone interact. energy: -2.312 local terms energy: -452.577037 where: bonds (distance) C4'-P energy: -83.496 bonds (distance) P-C4' energy: -86.708 flat angles C4'-P-C4' energy: -101.703 flat angles P-C4'-P energy: -67.516 tors. eta vs tors. theta energy: -113.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1203.336630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.336630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.336630 (E_RNA) where: Base-Base interactions energy: -772.003 where: short stacking energy: -358.576 Base-Backbone interact. energy: -1.881 local terms energy: -429.453088 where: bonds (distance) C4'-P energy: -96.090 bonds (distance) P-C4' energy: -88.305 flat angles C4'-P-C4' energy: -84.659 flat angles P-C4'-P energy: -56.753 tors. eta vs tors. theta energy: -103.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1156.060111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.060111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.060111 (E_RNA) where: Base-Base interactions energy: -744.050 where: short stacking energy: -351.100 Base-Backbone interact. energy: -1.624 local terms energy: -410.385976 where: bonds (distance) C4'-P energy: -73.943 bonds (distance) P-C4' energy: -88.545 flat angles C4'-P-C4' energy: -85.589 flat angles P-C4'-P energy: -59.324 tors. eta vs tors. theta energy: -102.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1048.725511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.725511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.725511 (E_RNA) where: Base-Base interactions energy: -663.190 where: short stacking energy: -310.596 Base-Backbone interact. energy: -1.397 local terms energy: -384.138692 where: bonds (distance) C4'-P energy: -82.564 bonds (distance) P-C4' energy: -82.854 flat angles C4'-P-C4' energy: -86.209 flat angles P-C4'-P energy: -65.076 tors. eta vs tors. theta energy: -67.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -850.999913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.999913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.999913 (E_RNA) where: Base-Base interactions energy: -505.531 where: short stacking energy: -232.662 Base-Backbone interact. energy: -2.566 local terms energy: -342.902991 where: bonds (distance) C4'-P energy: -67.679 bonds (distance) P-C4' energy: -93.430 flat angles C4'-P-C4' energy: -85.011 flat angles P-C4'-P energy: -47.918 tors. eta vs tors. theta energy: -48.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -586.544849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.544849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.544849 (E_RNA) where: Base-Base interactions energy: -290.089 where: short stacking energy: -192.064 Base-Backbone interact. energy: 1.710 local terms energy: -298.165197 where: bonds (distance) C4'-P energy: -78.575 bonds (distance) P-C4' energy: -81.415 flat angles C4'-P-C4' energy: -75.588 flat angles P-C4'-P energy: -42.103 tors. eta vs tors. theta energy: -20.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -518.901895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.901895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.901895 (E_RNA) where: Base-Base interactions energy: -224.941 where: short stacking energy: -157.443 Base-Backbone interact. energy: -2.015 local terms energy: -291.945940 where: bonds (distance) C4'-P energy: -81.492 bonds (distance) P-C4' energy: -94.899 flat angles C4'-P-C4' energy: -72.353 flat angles P-C4'-P energy: -39.718 tors. eta vs tors. theta energy: -3.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -369.911627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.911627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.911627 (E_RNA) where: Base-Base interactions energy: -130.300 where: short stacking energy: -120.209 Base-Backbone interact. energy: 5.442 local terms energy: -245.053348 where: bonds (distance) C4'-P energy: -73.244 bonds (distance) P-C4' energy: -90.394 flat angles C4'-P-C4' energy: -55.952 flat angles P-C4'-P energy: -36.810 tors. eta vs tors. theta energy: 11.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1475.815385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.815385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.815385 (E_RNA) where: Base-Base interactions energy: -984.060 where: short stacking energy: -463.613 Base-Backbone interact. energy: -1.332 local terms energy: -490.423763 where: bonds (distance) C4'-P energy: -86.736 bonds (distance) P-C4' energy: -106.875 flat angles C4'-P-C4' energy: -99.583 flat angles P-C4'-P energy: -67.190 tors. eta vs tors. theta energy: -130.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1377.258064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.258064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.258064 (E_RNA) where: Base-Base interactions energy: -903.618 where: short stacking energy: -407.810 Base-Backbone interact. energy: -4.253 local terms energy: -469.387511 where: bonds (distance) C4'-P energy: -78.282 bonds (distance) P-C4' energy: -94.639 flat angles C4'-P-C4' energy: -109.518 flat angles P-C4'-P energy: -76.556 tors. eta vs tors. theta energy: -110.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1350.051494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.051494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.051494 (E_RNA) where: Base-Base interactions energy: -909.629 where: short stacking energy: -444.721 Base-Backbone interact. energy: -0.402 local terms energy: -440.020221 where: bonds (distance) C4'-P energy: -87.832 bonds (distance) P-C4' energy: -83.988 flat angles C4'-P-C4' energy: -95.006 flat angles P-C4'-P energy: -54.549 tors. eta vs tors. theta energy: -118.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1180.547551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.547551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.547551 (E_RNA) where: Base-Base interactions energy: -762.888 where: short stacking energy: -371.221 Base-Backbone interact. energy: 1.785 local terms energy: -419.444739 where: bonds (distance) C4'-P energy: -85.772 bonds (distance) P-C4' energy: -91.495 flat angles C4'-P-C4' energy: -95.226 flat angles P-C4'-P energy: -61.447 tors. eta vs tors. theta energy: -85.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1158.118789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.118789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.118789 (E_RNA) where: Base-Base interactions energy: -752.305 where: short stacking energy: -345.871 Base-Backbone interact. energy: -1.402 local terms energy: -404.411768 where: bonds (distance) C4'-P energy: -88.728 bonds (distance) P-C4' energy: -81.701 flat angles C4'-P-C4' energy: -86.423 flat angles P-C4'-P energy: -53.735 tors. eta vs tors. theta energy: -93.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1070.726847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.726847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.726847 (E_RNA) where: Base-Base interactions energy: -683.021 where: short stacking energy: -328.482 Base-Backbone interact. energy: -1.232 local terms energy: -386.473305 where: bonds (distance) C4'-P energy: -79.192 bonds (distance) P-C4' energy: -90.737 flat angles C4'-P-C4' energy: -80.018 flat angles P-C4'-P energy: -64.337 tors. eta vs tors. theta energy: -72.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -897.513884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.513884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.513884 (E_RNA) where: Base-Base interactions energy: -584.068 where: short stacking energy: -267.177 Base-Backbone interact. energy: 1.881 local terms energy: -315.326907 where: bonds (distance) C4'-P energy: -64.205 bonds (distance) P-C4' energy: -84.162 flat angles C4'-P-C4' energy: -74.113 flat angles P-C4'-P energy: -47.463 tors. eta vs tors. theta energy: -45.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -605.931282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.931282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.931282 (E_RNA) where: Base-Base interactions energy: -312.105 where: short stacking energy: -185.539 Base-Backbone interact. energy: -0.446 local terms energy: -293.380211 where: bonds (distance) C4'-P energy: -71.556 bonds (distance) P-C4' energy: -86.640 flat angles C4'-P-C4' energy: -80.963 flat angles P-C4'-P energy: -48.088 tors. eta vs tors. theta energy: -6.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -474.077770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.077770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.077770 (E_RNA) where: Base-Base interactions energy: -206.873 where: short stacking energy: -130.473 Base-Backbone interact. energy: -2.058 local terms energy: -265.146730 where: bonds (distance) C4'-P energy: -73.697 bonds (distance) P-C4' energy: -76.373 flat angles C4'-P-C4' energy: -77.880 flat angles P-C4'-P energy: -35.231 tors. eta vs tors. theta energy: -1.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -376.472106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.472106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.472106 (E_RNA) where: Base-Base interactions energy: -144.752 where: short stacking energy: -127.935 Base-Backbone interact. energy: -1.141 local terms energy: -230.579787 where: bonds (distance) C4'-P energy: -80.027 bonds (distance) P-C4' energy: -85.089 flat angles C4'-P-C4' energy: -54.487 flat angles P-C4'-P energy: -30.313 tors. eta vs tors. theta energy: 19.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1454.267788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.267788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.267788 (E_RNA) where: Base-Base interactions energy: -943.963 where: short stacking energy: -450.731 Base-Backbone interact. energy: -3.037 local terms energy: -507.267493 where: bonds (distance) C4'-P energy: -93.927 bonds (distance) P-C4' energy: -100.099 flat angles C4'-P-C4' energy: -108.535 flat angles P-C4'-P energy: -72.456 tors. eta vs tors. theta energy: -132.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1368.365888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.365888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.365888 (E_RNA) where: Base-Base interactions energy: -911.930 where: short stacking energy: -409.560 Base-Backbone interact. energy: -2.610 local terms energy: -453.826490 where: bonds (distance) C4'-P energy: -93.979 bonds (distance) P-C4' energy: -83.356 flat angles C4'-P-C4' energy: -96.584 flat angles P-C4'-P energy: -62.389 tors. eta vs tors. theta energy: -117.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1312.661744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.661744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.661744 (E_RNA) where: Base-Base interactions energy: -870.320 where: short stacking energy: -397.571 Base-Backbone interact. energy: -2.656 local terms energy: -439.685953 where: bonds (distance) C4'-P energy: -86.164 bonds (distance) P-C4' energy: -104.325 flat angles C4'-P-C4' energy: -84.190 flat angles P-C4'-P energy: -50.946 tors. eta vs tors. theta energy: -114.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1170.294428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.294428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.294428 (E_RNA) where: Base-Base interactions energy: -750.236 where: short stacking energy: -335.701 Base-Backbone interact. energy: -2.292 local terms energy: -417.766470 where: bonds (distance) C4'-P energy: -89.846 bonds (distance) P-C4' energy: -96.092 flat angles C4'-P-C4' energy: -95.426 flat angles P-C4'-P energy: -66.813 tors. eta vs tors. theta energy: -69.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1182.231481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.231481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.231481 (E_RNA) where: Base-Base interactions energy: -769.733 where: short stacking energy: -355.032 Base-Backbone interact. energy: -2.847 local terms energy: -409.651262 where: bonds (distance) C4'-P energy: -83.703 bonds (distance) P-C4' energy: -91.369 flat angles C4'-P-C4' energy: -82.624 flat angles P-C4'-P energy: -57.963 tors. eta vs tors. theta energy: -93.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1077.070577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.070577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.070577 (E_RNA) where: Base-Base interactions energy: -688.904 where: short stacking energy: -310.248 Base-Backbone interact. energy: -0.301 local terms energy: -387.866245 where: bonds (distance) C4'-P energy: -76.344 bonds (distance) P-C4' energy: -85.621 flat angles C4'-P-C4' energy: -95.213 flat angles P-C4'-P energy: -64.358 tors. eta vs tors. theta energy: -66.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -892.802983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.802983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.802983 (E_RNA) where: Base-Base interactions energy: -559.725 where: short stacking energy: -259.185 Base-Backbone interact. energy: -0.104 local terms energy: -332.973967 where: bonds (distance) C4'-P energy: -75.229 bonds (distance) P-C4' energy: -88.366 flat angles C4'-P-C4' energy: -72.747 flat angles P-C4'-P energy: -56.407 tors. eta vs tors. theta energy: -40.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -588.759889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.759889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.759889 (E_RNA) where: Base-Base interactions energy: -291.740 where: short stacking energy: -162.743 Base-Backbone interact. energy: 1.937 local terms energy: -298.957415 where: bonds (distance) C4'-P energy: -86.959 bonds (distance) P-C4' energy: -78.848 flat angles C4'-P-C4' energy: -72.835 flat angles P-C4'-P energy: -53.496 tors. eta vs tors. theta energy: -6.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -558.643665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.643665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.643665 (E_RNA) where: Base-Base interactions energy: -270.214 where: short stacking energy: -182.911 Base-Backbone interact. energy: -1.543 local terms energy: -286.886239 where: bonds (distance) C4'-P energy: -69.433 bonds (distance) P-C4' energy: -78.365 flat angles C4'-P-C4' energy: -77.369 flat angles P-C4'-P energy: -39.385 tors. eta vs tors. theta energy: -22.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -411.543468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.543468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.543468 (E_RNA) where: Base-Base interactions energy: -159.868 where: short stacking energy: -117.452 Base-Backbone interact. energy: -0.472 local terms energy: -251.202838 where: bonds (distance) C4'-P energy: -83.352 bonds (distance) P-C4' energy: -84.060 flat angles C4'-P-C4' energy: -59.173 flat angles P-C4'-P energy: -30.577 tors. eta vs tors. theta energy: 5.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1444.792130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.792130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.792130 (E_RNA) where: Base-Base interactions energy: -939.259 where: short stacking energy: -436.612 Base-Backbone interact. energy: -2.767 local terms energy: -502.765896 where: bonds (distance) C4'-P energy: -103.536 bonds (distance) P-C4' energy: -102.824 flat angles C4'-P-C4' energy: -100.555 flat angles P-C4'-P energy: -63.947 tors. eta vs tors. theta energy: -131.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1417.644177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.644177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.644177 (E_RNA) where: Base-Base interactions energy: -960.654 where: short stacking energy: -428.855 Base-Backbone interact. energy: 3.081 local terms energy: -460.071386 where: bonds (distance) C4'-P energy: -86.468 bonds (distance) P-C4' energy: -91.795 flat angles C4'-P-C4' energy: -99.445 flat angles P-C4'-P energy: -61.226 tors. eta vs tors. theta energy: -121.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1313.532611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.532611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.532611 (E_RNA) where: Base-Base interactions energy: -847.054 where: short stacking energy: -400.915 Base-Backbone interact. energy: -5.674 local terms energy: -460.804543 where: bonds (distance) C4'-P energy: -95.752 bonds (distance) P-C4' energy: -81.672 flat angles C4'-P-C4' energy: -102.916 flat angles P-C4'-P energy: -61.031 tors. eta vs tors. theta energy: -119.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1121.544898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.544898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.544898 (E_RNA) where: Base-Base interactions energy: -733.646 where: short stacking energy: -333.883 Base-Backbone interact. energy: -1.554 local terms energy: -386.344595 where: bonds (distance) C4'-P energy: -78.896 bonds (distance) P-C4' energy: -86.169 flat angles C4'-P-C4' energy: -84.187 flat angles P-C4'-P energy: -52.909 tors. eta vs tors. theta energy: -84.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1215.750083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.750083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.750083 (E_RNA) where: Base-Base interactions energy: -786.815 where: short stacking energy: -360.934 Base-Backbone interact. energy: -3.653 local terms energy: -425.282033 where: bonds (distance) C4'-P energy: -80.991 bonds (distance) P-C4' energy: -91.373 flat angles C4'-P-C4' energy: -95.138 flat angles P-C4'-P energy: -58.286 tors. eta vs tors. theta energy: -99.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1060.919780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.919780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.919780 (E_RNA) where: Base-Base interactions energy: -673.459 where: short stacking energy: -303.205 Base-Backbone interact. energy: -0.362 local terms energy: -387.099060 where: bonds (distance) C4'-P energy: -89.576 bonds (distance) P-C4' energy: -83.087 flat angles C4'-P-C4' energy: -94.274 flat angles P-C4'-P energy: -58.439 tors. eta vs tors. theta energy: -61.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -920.688445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.688445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.688445 (E_RNA) where: Base-Base interactions energy: -584.423 where: short stacking energy: -275.099 Base-Backbone interact. energy: -2.106 local terms energy: -334.159158 where: bonds (distance) C4'-P energy: -73.347 bonds (distance) P-C4' energy: -79.055 flat angles C4'-P-C4' energy: -83.174 flat angles P-C4'-P energy: -54.521 tors. eta vs tors. theta energy: -44.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -651.852341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.852341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.852341 (E_RNA) where: Base-Base interactions energy: -344.249 where: short stacking energy: -199.161 Base-Backbone interact. energy: -0.339 local terms energy: -307.264133 where: bonds (distance) C4'-P energy: -69.142 bonds (distance) P-C4' energy: -76.700 flat angles C4'-P-C4' energy: -86.900 flat angles P-C4'-P energy: -43.767 tors. eta vs tors. theta energy: -30.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -550.792532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.792532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.792532 (E_RNA) where: Base-Base interactions energy: -268.839 where: short stacking energy: -148.514 Base-Backbone interact. energy: 2.351 local terms energy: -284.304674 where: bonds (distance) C4'-P energy: -68.661 bonds (distance) P-C4' energy: -78.383 flat angles C4'-P-C4' energy: -69.236 flat angles P-C4'-P energy: -53.537 tors. eta vs tors. theta energy: -14.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -365.748621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.748621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.748621 (E_RNA) where: Base-Base interactions energy: -122.865 where: short stacking energy: -108.725 Base-Backbone interact. energy: -2.582 local terms energy: -240.302163 where: bonds (distance) C4'-P energy: -67.128 bonds (distance) P-C4' energy: -76.396 flat angles C4'-P-C4' energy: -62.401 flat angles P-C4'-P energy: -49.881 tors. eta vs tors. theta energy: 15.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1461.680032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.680032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.680032 (E_RNA) where: Base-Base interactions energy: -973.444 where: short stacking energy: -444.709 Base-Backbone interact. energy: -2.978 local terms energy: -485.257749 where: bonds (distance) C4'-P energy: -87.809 bonds (distance) P-C4' energy: -94.863 flat angles C4'-P-C4' energy: -105.913 flat angles P-C4'-P energy: -67.734 tors. eta vs tors. theta energy: -128.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1445.892084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.892084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.892084 (E_RNA) where: Base-Base interactions energy: -962.344 where: short stacking energy: -430.067 Base-Backbone interact. energy: -4.225 local terms energy: -479.322737 where: bonds (distance) C4'-P energy: -97.648 bonds (distance) P-C4' energy: -95.207 flat angles C4'-P-C4' energy: -103.143 flat angles P-C4'-P energy: -64.171 tors. eta vs tors. theta energy: -119.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1333.504063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.504063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.504063 (E_RNA) where: Base-Base interactions energy: -866.345 where: short stacking energy: -411.092 Base-Backbone interact. energy: 1.263 local terms energy: -468.421546 where: bonds (distance) C4'-P energy: -90.593 bonds (distance) P-C4' energy: -96.527 flat angles C4'-P-C4' energy: -98.598 flat angles P-C4'-P energy: -75.431 tors. eta vs tors. theta energy: -107.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1113.592106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.592106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.592106 (E_RNA) where: Base-Base interactions energy: -711.972 where: short stacking energy: -318.516 Base-Backbone interact. energy: 1.068 local terms energy: -402.687760 where: bonds (distance) C4'-P energy: -88.146 bonds (distance) P-C4' energy: -97.466 flat angles C4'-P-C4' energy: -88.552 flat angles P-C4'-P energy: -58.753 tors. eta vs tors. theta energy: -69.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1242.820212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.820212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.820212 (E_RNA) where: Base-Base interactions energy: -795.316 where: short stacking energy: -364.492 Base-Backbone interact. energy: -3.967 local terms energy: -443.537735 where: bonds (distance) C4'-P energy: -87.267 bonds (distance) P-C4' energy: -101.512 flat angles C4'-P-C4' energy: -96.301 flat angles P-C4'-P energy: -57.704 tors. eta vs tors. theta energy: -100.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1059.120137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.120137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.120137 (E_RNA) where: Base-Base interactions energy: -670.006 where: short stacking energy: -307.366 Base-Backbone interact. energy: -0.775 local terms energy: -388.338915 where: bonds (distance) C4'-P energy: -80.009 bonds (distance) P-C4' energy: -74.358 flat angles C4'-P-C4' energy: -85.692 flat angles P-C4'-P energy: -64.853 tors. eta vs tors. theta energy: -83.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -920.986459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.986459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.986459 (E_RNA) where: Base-Base interactions energy: -589.875 where: short stacking energy: -270.868 Base-Backbone interact. energy: -1.137 local terms energy: -329.973745 where: bonds (distance) C4'-P energy: -69.305 bonds (distance) P-C4' energy: -85.146 flat angles C4'-P-C4' energy: -83.005 flat angles P-C4'-P energy: -46.131 tors. eta vs tors. theta energy: -46.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -679.766574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.766574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.766574 (E_RNA) where: Base-Base interactions energy: -386.608 where: short stacking energy: -184.420 Base-Backbone interact. energy: 2.179 local terms energy: -295.337931 where: bonds (distance) C4'-P energy: -75.218 bonds (distance) P-C4' energy: -76.223 flat angles C4'-P-C4' energy: -66.480 flat angles P-C4'-P energy: -52.127 tors. eta vs tors. theta energy: -25.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -587.151235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.151235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.151235 (E_RNA) where: Base-Base interactions energy: -291.196 where: short stacking energy: -172.038 Base-Backbone interact. energy: 1.111 local terms energy: -297.066252 where: bonds (distance) C4'-P energy: -70.273 bonds (distance) P-C4' energy: -83.939 flat angles C4'-P-C4' energy: -78.528 flat angles P-C4'-P energy: -57.333 tors. eta vs tors. theta energy: -6.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -380.889617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.889617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.889617 (E_RNA) where: Base-Base interactions energy: -130.005 where: short stacking energy: -98.733 Base-Backbone interact. energy: -1.513 local terms energy: -249.371682 where: bonds (distance) C4'-P energy: -79.617 bonds (distance) P-C4' energy: -76.485 flat angles C4'-P-C4' energy: -68.601 flat angles P-C4'-P energy: -32.568 tors. eta vs tors. theta energy: 7.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1497.959850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.959850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.959850 (E_RNA) where: Base-Base interactions energy: -988.984 where: short stacking energy: -455.474 Base-Backbone interact. energy: -3.153 local terms energy: -505.822720 where: bonds (distance) C4'-P energy: -103.767 bonds (distance) P-C4' energy: -105.417 flat angles C4'-P-C4' energy: -103.300 flat angles P-C4'-P energy: -53.371 tors. eta vs tors. theta energy: -139.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1348.477874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.477874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.477874 (E_RNA) where: Base-Base interactions energy: -883.802 where: short stacking energy: -412.024 Base-Backbone interact. energy: 0.721 local terms energy: -465.397286 where: bonds (distance) C4'-P energy: -99.092 bonds (distance) P-C4' energy: -89.219 flat angles C4'-P-C4' energy: -98.524 flat angles P-C4'-P energy: -69.182 tors. eta vs tors. theta energy: -109.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1325.062768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.062768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.062768 (E_RNA) where: Base-Base interactions energy: -857.655 where: short stacking energy: -401.447 Base-Backbone interact. energy: -5.519 local terms energy: -461.888444 where: bonds (distance) C4'-P energy: -90.598 bonds (distance) P-C4' energy: -91.064 flat angles C4'-P-C4' energy: -101.761 flat angles P-C4'-P energy: -69.146 tors. eta vs tors. theta energy: -109.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1250.634706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.634706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.634706 (E_RNA) where: Base-Base interactions energy: -812.775 where: short stacking energy: -368.876 Base-Backbone interact. energy: -2.207 local terms energy: -435.653261 where: bonds (distance) C4'-P energy: -79.751 bonds (distance) P-C4' energy: -87.748 flat angles C4'-P-C4' energy: -100.348 flat angles P-C4'-P energy: -70.156 tors. eta vs tors. theta energy: -97.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1037.722286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.722286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.722286 (E_RNA) where: Base-Base interactions energy: -677.756 where: short stacking energy: -299.308 Base-Backbone interact. energy: -0.736 local terms energy: -359.230442 where: bonds (distance) C4'-P energy: -83.973 bonds (distance) P-C4' energy: -82.201 flat angles C4'-P-C4' energy: -75.095 flat angles P-C4'-P energy: -48.351 tors. eta vs tors. theta energy: -69.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -1066.855167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.855167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.855167 (E_RNA) where: Base-Base interactions energy: -703.999 where: short stacking energy: -318.131 Base-Backbone interact. energy: -2.105 local terms energy: -360.751170 where: bonds (distance) C4'-P energy: -86.761 bonds (distance) P-C4' energy: -77.370 flat angles C4'-P-C4' energy: -80.592 flat angles P-C4'-P energy: -49.825 tors. eta vs tors. theta energy: -66.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -878.237910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.237910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.237910 (E_RNA) where: Base-Base interactions energy: -549.982 where: short stacking energy: -254.389 Base-Backbone interact. energy: 1.536 local terms energy: -329.791898 where: bonds (distance) C4'-P energy: -74.281 bonds (distance) P-C4' energy: -77.368 flat angles C4'-P-C4' energy: -78.441 flat angles P-C4'-P energy: -53.646 tors. eta vs tors. theta energy: -46.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -800.035892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.035892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.035892 (E_RNA) where: Base-Base interactions energy: -473.065 where: short stacking energy: -257.839 Base-Backbone interact. energy: 3.377 local terms energy: -330.347604 where: bonds (distance) C4'-P energy: -86.005 bonds (distance) P-C4' energy: -83.484 flat angles C4'-P-C4' energy: -78.161 flat angles P-C4'-P energy: -35.437 tors. eta vs tors. theta energy: -47.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -588.373645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.373645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.373645 (E_RNA) where: Base-Base interactions energy: -306.695 where: short stacking energy: -191.251 Base-Backbone interact. energy: 0.651 local terms energy: -282.329638 where: bonds (distance) C4'-P energy: -70.184 bonds (distance) P-C4' energy: -78.776 flat angles C4'-P-C4' energy: -73.522 flat angles P-C4'-P energy: -43.563 tors. eta vs tors. theta energy: -16.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -404.690933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.690933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.690933 (E_RNA) where: Base-Base interactions energy: -157.181 where: short stacking energy: -136.467 Base-Backbone interact. energy: -0.981 local terms energy: -246.528206 where: bonds (distance) C4'-P energy: -73.090 bonds (distance) P-C4' energy: -60.708 flat angles C4'-P-C4' energy: -65.450 flat angles P-C4'-P energy: -38.785 tors. eta vs tors. theta energy: -8.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1498.641047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.641047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.641047 (E_RNA) where: Base-Base interactions energy: -1004.610 where: short stacking energy: -455.575 Base-Backbone interact. energy: -2.158 local terms energy: -491.873564 where: bonds (distance) C4'-P energy: -98.997 bonds (distance) P-C4' energy: -89.299 flat angles C4'-P-C4' energy: -101.760 flat angles P-C4'-P energy: -69.190 tors. eta vs tors. theta energy: -132.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1370.094533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.094533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.094533 (E_RNA) where: Base-Base interactions energy: -893.177 where: short stacking energy: -411.837 Base-Backbone interact. energy: -3.123 local terms energy: -473.795024 where: bonds (distance) C4'-P energy: -89.421 bonds (distance) P-C4' energy: -93.178 flat angles C4'-P-C4' energy: -102.836 flat angles P-C4'-P energy: -61.512 tors. eta vs tors. theta energy: -126.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1363.749724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.749724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.749724 (E_RNA) where: Base-Base interactions energy: -925.052 where: short stacking energy: -422.048 Base-Backbone interact. energy: -5.394 local terms energy: -433.303559 where: bonds (distance) C4'-P energy: -80.333 bonds (distance) P-C4' energy: -88.735 flat angles C4'-P-C4' energy: -97.768 flat angles P-C4'-P energy: -62.792 tors. eta vs tors. theta energy: -103.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1262.576552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.576552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.576552 (E_RNA) where: Base-Base interactions energy: -799.499 where: short stacking energy: -378.643 Base-Backbone interact. energy: -3.265 local terms energy: -459.812197 where: bonds (distance) C4'-P energy: -87.141 bonds (distance) P-C4' energy: -91.656 flat angles C4'-P-C4' energy: -106.444 flat angles P-C4'-P energy: -62.192 tors. eta vs tors. theta energy: -112.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -1103.094062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.094062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.094062 (E_RNA) where: Base-Base interactions energy: -707.079 where: short stacking energy: -335.804 Base-Backbone interact. energy: 0.324 local terms energy: -396.338996 where: bonds (distance) C4'-P energy: -88.506 bonds (distance) P-C4' energy: -81.364 flat angles C4'-P-C4' energy: -84.432 flat angles P-C4'-P energy: -62.988 tors. eta vs tors. theta energy: -79.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -991.807575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.807575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.807575 (E_RNA) where: Base-Base interactions energy: -633.128 where: short stacking energy: -311.871 Base-Backbone interact. energy: -2.629 local terms energy: -356.050744 where: bonds (distance) C4'-P energy: -68.449 bonds (distance) P-C4' energy: -80.964 flat angles C4'-P-C4' energy: -78.125 flat angles P-C4'-P energy: -55.091 tors. eta vs tors. theta energy: -73.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -892.054531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.054531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.054531 (E_RNA) where: Base-Base interactions energy: -548.351 where: short stacking energy: -252.661 Base-Backbone interact. energy: 1.943 local terms energy: -345.646024 where: bonds (distance) C4'-P energy: -87.523 bonds (distance) P-C4' energy: -89.867 flat angles C4'-P-C4' energy: -80.331 flat angles P-C4'-P energy: -53.491 tors. eta vs tors. theta energy: -34.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -819.844553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.844553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.844553 (E_RNA) where: Base-Base interactions energy: -489.063 where: short stacking energy: -258.088 Base-Backbone interact. energy: 0.025 local terms energy: -330.806789 where: bonds (distance) C4'-P energy: -70.120 bonds (distance) P-C4' energy: -88.689 flat angles C4'-P-C4' energy: -69.452 flat angles P-C4'-P energy: -48.021 tors. eta vs tors. theta energy: -54.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -612.955273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.955273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.955273 (E_RNA) where: Base-Base interactions energy: -337.100 where: short stacking energy: -198.454 Base-Backbone interact. energy: -1.302 local terms energy: -274.554060 where: bonds (distance) C4'-P energy: -59.351 bonds (distance) P-C4' energy: -82.442 flat angles C4'-P-C4' energy: -65.262 flat angles P-C4'-P energy: -39.704 tors. eta vs tors. theta energy: -27.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -456.785521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.785521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.785521 (E_RNA) where: Base-Base interactions energy: -235.975 where: short stacking energy: -128.904 Base-Backbone interact. energy: 0.654 local terms energy: -221.464074 where: bonds (distance) C4'-P energy: -64.564 bonds (distance) P-C4' energy: -92.357 flat angles C4'-P-C4' energy: -56.671 flat angles P-C4'-P energy: -34.446 tors. eta vs tors. theta energy: 26.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1463.167373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.167373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.167373 (E_RNA) where: Base-Base interactions energy: -958.100 where: short stacking energy: -463.621 Base-Backbone interact. energy: -0.122 local terms energy: -504.945961 where: bonds (distance) C4'-P energy: -95.322 bonds (distance) P-C4' energy: -92.458 flat angles C4'-P-C4' energy: -112.872 flat angles P-C4'-P energy: -72.058 tors. eta vs tors. theta energy: -132.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1406.948122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.948122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.948122 (E_RNA) where: Base-Base interactions energy: -925.732 where: short stacking energy: -433.034 Base-Backbone interact. energy: -3.116 local terms energy: -478.100589 where: bonds (distance) C4'-P energy: -90.495 bonds (distance) P-C4' energy: -96.825 flat angles C4'-P-C4' energy: -99.411 flat angles P-C4'-P energy: -67.254 tors. eta vs tors. theta energy: -124.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1317.214329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.214329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.214329 (E_RNA) where: Base-Base interactions energy: -883.229 where: short stacking energy: -387.224 Base-Backbone interact. energy: -3.940 local terms energy: -430.044623 where: bonds (distance) C4'-P energy: -81.249 bonds (distance) P-C4' energy: -97.589 flat angles C4'-P-C4' energy: -90.209 flat angles P-C4'-P energy: -60.633 tors. eta vs tors. theta energy: -100.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1264.698103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.698103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.698103 (E_RNA) where: Base-Base interactions energy: -825.663 where: short stacking energy: -400.436 Base-Backbone interact. energy: -2.593 local terms energy: -436.441692 where: bonds (distance) C4'-P energy: -77.856 bonds (distance) P-C4' energy: -87.769 flat angles C4'-P-C4' energy: -93.376 flat angles P-C4'-P energy: -66.186 tors. eta vs tors. theta energy: -111.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1078.739792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.739792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.739792 (E_RNA) where: Base-Base interactions energy: -696.937 where: short stacking energy: -331.050 Base-Backbone interact. energy: -4.277 local terms energy: -377.525364 where: bonds (distance) C4'-P energy: -82.926 bonds (distance) P-C4' energy: -97.603 flat angles C4'-P-C4' energy: -74.214 flat angles P-C4'-P energy: -49.323 tors. eta vs tors. theta energy: -73.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -1003.897216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.897216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.897216 (E_RNA) where: Base-Base interactions energy: -623.597 where: short stacking energy: -328.725 Base-Backbone interact. energy: -0.487 local terms energy: -379.813971 where: bonds (distance) C4'-P energy: -70.773 bonds (distance) P-C4' energy: -80.284 flat angles C4'-P-C4' energy: -101.134 flat angles P-C4'-P energy: -55.030 tors. eta vs tors. theta energy: -72.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -870.513631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.513631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.513631 (E_RNA) where: Base-Base interactions energy: -541.965 where: short stacking energy: -236.885 Base-Backbone interact. energy: 1.909 local terms energy: -330.457066 where: bonds (distance) C4'-P energy: -78.634 bonds (distance) P-C4' energy: -91.033 flat angles C4'-P-C4' energy: -75.489 flat angles P-C4'-P energy: -43.893 tors. eta vs tors. theta energy: -41.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -860.458222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.458222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.458222 (E_RNA) where: Base-Base interactions energy: -528.066 where: short stacking energy: -253.656 Base-Backbone interact. energy: -2.728 local terms energy: -329.663956 where: bonds (distance) C4'-P energy: -85.075 bonds (distance) P-C4' energy: -79.946 flat angles C4'-P-C4' energy: -62.548 flat angles P-C4'-P energy: -48.122 tors. eta vs tors. theta energy: -53.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -512.182733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.182733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.182733 (E_RNA) where: Base-Base interactions energy: -234.129 where: short stacking energy: -141.744 Base-Backbone interact. energy: -0.371 local terms energy: -277.682568 where: bonds (distance) C4'-P energy: -74.223 bonds (distance) P-C4' energy: -89.447 flat angles C4'-P-C4' energy: -65.357 flat angles P-C4'-P energy: -41.692 tors. eta vs tors. theta energy: -6.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -439.586185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.586185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.586185 (E_RNA) where: Base-Base interactions energy: -184.710 where: short stacking energy: -128.184 Base-Backbone interact. energy: 3.042 local terms energy: -257.918542 where: bonds (distance) C4'-P energy: -71.942 bonds (distance) P-C4' energy: -85.777 flat angles C4'-P-C4' energy: -62.246 flat angles P-C4'-P energy: -39.975 tors. eta vs tors. theta energy: 2.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1510.070254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.070254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.070254 (E_RNA) where: Base-Base interactions energy: -996.557 where: short stacking energy: -459.229 Base-Backbone interact. energy: -3.097 local terms energy: -510.415895 where: bonds (distance) C4'-P energy: -95.494 bonds (distance) P-C4' energy: -103.234 flat angles C4'-P-C4' energy: -106.214 flat angles P-C4'-P energy: -60.794 tors. eta vs tors. theta energy: -144.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1391.473492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.473492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.473492 (E_RNA) where: Base-Base interactions energy: -893.669 where: short stacking energy: -423.708 Base-Backbone interact. energy: -5.281 local terms energy: -492.523480 where: bonds (distance) C4'-P energy: -104.042 bonds (distance) P-C4' energy: -91.176 flat angles C4'-P-C4' energy: -99.158 flat angles P-C4'-P energy: -74.186 tors. eta vs tors. theta energy: -123.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1333.635319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.635319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.635319 (E_RNA) where: Base-Base interactions energy: -883.217 where: short stacking energy: -397.596 Base-Backbone interact. energy: -4.826 local terms energy: -445.591797 where: bonds (distance) C4'-P energy: -92.429 bonds (distance) P-C4' energy: -92.408 flat angles C4'-P-C4' energy: -98.011 flat angles P-C4'-P energy: -59.283 tors. eta vs tors. theta energy: -103.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1231.094547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.094547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.094547 (E_RNA) where: Base-Base interactions energy: -801.066 where: short stacking energy: -392.863 Base-Backbone interact. energy: -4.047 local terms energy: -425.980844 where: bonds (distance) C4'-P energy: -74.073 bonds (distance) P-C4' energy: -95.404 flat angles C4'-P-C4' energy: -97.910 flat angles P-C4'-P energy: -61.907 tors. eta vs tors. theta energy: -96.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1090.759121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.759121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.759121 (E_RNA) where: Base-Base interactions energy: -688.802 where: short stacking energy: -325.450 Base-Backbone interact. energy: -1.839 local terms energy: -400.118305 where: bonds (distance) C4'-P energy: -78.315 bonds (distance) P-C4' energy: -90.805 flat angles C4'-P-C4' energy: -89.970 flat angles P-C4'-P energy: -64.689 tors. eta vs tors. theta energy: -76.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -927.535472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.535472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.535472 (E_RNA) where: Base-Base interactions energy: -553.758 where: short stacking energy: -293.847 Base-Backbone interact. energy: -1.839 local terms energy: -371.937936 where: bonds (distance) C4'-P energy: -74.028 bonds (distance) P-C4' energy: -77.781 flat angles C4'-P-C4' energy: -91.492 flat angles P-C4'-P energy: -56.851 tors. eta vs tors. theta energy: -71.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -918.005805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.005805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.005805 (E_RNA) where: Base-Base interactions energy: -557.473 where: short stacking energy: -282.446 Base-Backbone interact. energy: -0.256 local terms energy: -360.277026 where: bonds (distance) C4'-P energy: -72.333 bonds (distance) P-C4' energy: -76.619 flat angles C4'-P-C4' energy: -92.921 flat angles P-C4'-P energy: -58.329 tors. eta vs tors. theta energy: -60.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -786.504868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.504868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.504868 (E_RNA) where: Base-Base interactions energy: -494.280 where: short stacking energy: -224.746 Base-Backbone interact. energy: 0.693 local terms energy: -292.918184 where: bonds (distance) C4'-P energy: -74.052 bonds (distance) P-C4' energy: -85.964 flat angles C4'-P-C4' energy: -65.057 flat angles P-C4'-P energy: -44.497 tors. eta vs tors. theta energy: -23.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -512.427638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.427638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.427638 (E_RNA) where: Base-Base interactions energy: -221.217 where: short stacking energy: -145.453 Base-Backbone interact. energy: -1.365 local terms energy: -289.845770 where: bonds (distance) C4'-P energy: -88.226 bonds (distance) P-C4' energy: -82.695 flat angles C4'-P-C4' energy: -76.220 flat angles P-C4'-P energy: -33.193 tors. eta vs tors. theta energy: -9.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -409.447351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.447351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.447351 (E_RNA) where: Base-Base interactions energy: -178.228 where: short stacking energy: -119.763 Base-Backbone interact. energy: 5.862 local terms energy: -237.081287 where: bonds (distance) C4'-P energy: -75.234 bonds (distance) P-C4' energy: -66.522 flat angles C4'-P-C4' energy: -53.643 flat angles P-C4'-P energy: -51.479 tors. eta vs tors. theta energy: 9.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1514.948573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.948573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.948573 (E_RNA) where: Base-Base interactions energy: -995.914 where: short stacking energy: -469.434 Base-Backbone interact. energy: -1.963 local terms energy: -517.071473 where: bonds (distance) C4'-P energy: -93.513 bonds (distance) P-C4' energy: -94.295 flat angles C4'-P-C4' energy: -115.180 flat angles P-C4'-P energy: -68.962 tors. eta vs tors. theta energy: -145.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -1408.963476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.963476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.963476 (E_RNA) where: Base-Base interactions energy: -961.033 where: short stacking energy: -440.212 Base-Backbone interact. energy: 1.586 local terms energy: -449.516407 where: bonds (distance) C4'-P energy: -86.358 bonds (distance) P-C4' energy: -79.242 flat angles C4'-P-C4' energy: -107.167 flat angles P-C4'-P energy: -67.022 tors. eta vs tors. theta energy: -109.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1342.900294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.900294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.900294 (E_RNA) where: Base-Base interactions energy: -879.812 where: short stacking energy: -413.029 Base-Backbone interact. energy: -3.012 local terms energy: -460.076844 where: bonds (distance) C4'-P energy: -89.266 bonds (distance) P-C4' energy: -98.196 flat angles C4'-P-C4' energy: -103.108 flat angles P-C4'-P energy: -59.230 tors. eta vs tors. theta energy: -110.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1242.731328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.731328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.731328 (E_RNA) where: Base-Base interactions energy: -825.415 where: short stacking energy: -385.212 Base-Backbone interact. energy: 1.706 local terms energy: -419.022522 where: bonds (distance) C4'-P energy: -81.433 bonds (distance) P-C4' energy: -87.061 flat angles C4'-P-C4' energy: -91.320 flat angles P-C4'-P energy: -47.312 tors. eta vs tors. theta energy: -111.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1090.812633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.812633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.812633 (E_RNA) where: Base-Base interactions energy: -712.047 where: short stacking energy: -360.781 Base-Backbone interact. energy: -0.668 local terms energy: -378.097450 where: bonds (distance) C4'-P energy: -83.653 bonds (distance) P-C4' energy: -74.877 flat angles C4'-P-C4' energy: -87.709 flat angles P-C4'-P energy: -50.792 tors. eta vs tors. theta energy: -81.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -937.449159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.449159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.449159 (E_RNA) where: Base-Base interactions energy: -577.683 where: short stacking energy: -312.973 Base-Backbone interact. energy: 3.372 local terms energy: -363.137716 where: bonds (distance) C4'-P energy: -81.660 bonds (distance) P-C4' energy: -89.282 flat angles C4'-P-C4' energy: -78.177 flat angles P-C4'-P energy: -45.809 tors. eta vs tors. theta energy: -68.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -908.320062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.320062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.320062 (E_RNA) where: Base-Base interactions energy: -533.280 where: short stacking energy: -268.278 Base-Backbone interact. energy: 3.379 local terms energy: -378.419617 where: bonds (distance) C4'-P energy: -81.216 bonds (distance) P-C4' energy: -97.628 flat angles C4'-P-C4' energy: -92.294 flat angles P-C4'-P energy: -44.489 tors. eta vs tors. theta energy: -62.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -779.284200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.284200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.284200 (E_RNA) where: Base-Base interactions energy: -448.182 where: short stacking energy: -220.136 Base-Backbone interact. energy: -2.980 local terms energy: -328.122088 where: bonds (distance) C4'-P energy: -86.891 bonds (distance) P-C4' energy: -73.427 flat angles C4'-P-C4' energy: -72.014 flat angles P-C4'-P energy: -61.944 tors. eta vs tors. theta energy: -33.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -520.350522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.350522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.350522 (E_RNA) where: Base-Base interactions energy: -241.553 where: short stacking energy: -161.047 Base-Backbone interact. energy: -2.144 local terms energy: -276.653292 where: bonds (distance) C4'-P energy: -82.935 bonds (distance) P-C4' energy: -76.697 flat angles C4'-P-C4' energy: -62.221 flat angles P-C4'-P energy: -40.657 tors. eta vs tors. theta energy: -14.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -389.111083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.111083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.111083 (E_RNA) where: Base-Base interactions energy: -153.039 where: short stacking energy: -101.061 Base-Backbone interact. energy: 4.473 local terms energy: -240.545213 where: bonds (distance) C4'-P energy: -69.755 bonds (distance) P-C4' energy: -83.837 flat angles C4'-P-C4' energy: -57.801 flat angles P-C4'-P energy: -42.792 tors. eta vs tors. theta energy: 13.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1503.352380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.352380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.352380 (E_RNA) where: Base-Base interactions energy: -1004.850 where: short stacking energy: -454.180 Base-Backbone interact. energy: -1.980 local terms energy: -496.522860 where: bonds (distance) C4'-P energy: -99.876 bonds (distance) P-C4' energy: -89.472 flat angles C4'-P-C4' energy: -109.110 flat angles P-C4'-P energy: -62.735 tors. eta vs tors. theta energy: -135.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1411.380216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.380216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.380216 (E_RNA) where: Base-Base interactions energy: -934.680 where: short stacking energy: -434.708 Base-Backbone interact. energy: -3.220 local terms energy: -473.479745 where: bonds (distance) C4'-P energy: -85.879 bonds (distance) P-C4' energy: -86.268 flat angles C4'-P-C4' energy: -110.078 flat angles P-C4'-P energy: -72.902 tors. eta vs tors. theta energy: -118.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1383.851920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.851920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.851920 (E_RNA) where: Base-Base interactions energy: -920.647 where: short stacking energy: -410.929 Base-Backbone interact. energy: -2.346 local terms energy: -460.858334 where: bonds (distance) C4'-P energy: -81.958 bonds (distance) P-C4' energy: -82.227 flat angles C4'-P-C4' energy: -106.880 flat angles P-C4'-P energy: -76.098 tors. eta vs tors. theta energy: -113.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1259.076450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.076450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.076450 (E_RNA) where: Base-Base interactions energy: -843.698 where: short stacking energy: -377.461 Base-Backbone interact. energy: -0.656 local terms energy: -414.722882 where: bonds (distance) C4'-P energy: -76.943 bonds (distance) P-C4' energy: -81.436 flat angles C4'-P-C4' energy: -95.984 flat angles P-C4'-P energy: -64.160 tors. eta vs tors. theta energy: -96.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1133.224372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.224372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.224372 (E_RNA) where: Base-Base interactions energy: -731.393 where: short stacking energy: -369.473 Base-Backbone interact. energy: 3.040 local terms energy: -404.871434 where: bonds (distance) C4'-P energy: -84.028 bonds (distance) P-C4' energy: -89.098 flat angles C4'-P-C4' energy: -89.405 flat angles P-C4'-P energy: -55.280 tors. eta vs tors. theta energy: -87.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -945.218644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.218644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.218644 (E_RNA) where: Base-Base interactions energy: -559.762 where: short stacking energy: -273.147 Base-Backbone interact. energy: -3.329 local terms energy: -382.127762 where: bonds (distance) C4'-P energy: -74.876 bonds (distance) P-C4' energy: -93.791 flat angles C4'-P-C4' energy: -81.393 flat angles P-C4'-P energy: -56.989 tors. eta vs tors. theta energy: -75.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -910.314334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.314334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.314334 (E_RNA) where: Base-Base interactions energy: -558.284 where: short stacking energy: -275.305 Base-Backbone interact. energy: -1.542 local terms energy: -350.489125 where: bonds (distance) C4'-P energy: -82.145 bonds (distance) P-C4' energy: -81.541 flat angles C4'-P-C4' energy: -77.749 flat angles P-C4'-P energy: -39.967 tors. eta vs tors. theta energy: -69.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -754.532538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.532538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.532538 (E_RNA) where: Base-Base interactions energy: -431.014 where: short stacking energy: -213.025 Base-Backbone interact. energy: -0.246 local terms energy: -323.272202 where: bonds (distance) C4'-P energy: -94.320 bonds (distance) P-C4' energy: -70.530 flat angles C4'-P-C4' energy: -75.133 flat angles P-C4'-P energy: -47.184 tors. eta vs tors. theta energy: -36.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -487.493332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.493332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.493332 (E_RNA) where: Base-Base interactions energy: -217.981 where: short stacking energy: -146.076 Base-Backbone interact. energy: -0.333 local terms energy: -269.179373 where: bonds (distance) C4'-P energy: -82.622 bonds (distance) P-C4' energy: -90.237 flat angles C4'-P-C4' energy: -49.364 flat angles P-C4'-P energy: -35.421 tors. eta vs tors. theta energy: -11.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -489.274910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.274910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.274910 (E_RNA) where: Base-Base interactions energy: -242.398 where: short stacking energy: -149.497 Base-Backbone interact. energy: 1.306 local terms energy: -248.182845 where: bonds (distance) C4'-P energy: -75.702 bonds (distance) P-C4' energy: -68.685 flat angles C4'-P-C4' energy: -67.772 flat angles P-C4'-P energy: -41.410 tors. eta vs tors. theta energy: 5.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1491.314299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.314299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.314299 (E_RNA) where: Base-Base interactions energy: -1002.349 where: short stacking energy: -459.529 Base-Backbone interact. energy: -2.125 local terms energy: -486.839926 where: bonds (distance) C4'-P energy: -85.845 bonds (distance) P-C4' energy: -95.632 flat angles C4'-P-C4' energy: -111.119 flat angles P-C4'-P energy: -69.183 tors. eta vs tors. theta energy: -125.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1397.570356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.570356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.570356 (E_RNA) where: Base-Base interactions energy: -933.884 where: short stacking energy: -430.833 Base-Backbone interact. energy: -1.882 local terms energy: -461.803821 where: bonds (distance) C4'-P energy: -90.321 bonds (distance) P-C4' energy: -97.757 flat angles C4'-P-C4' energy: -101.091 flat angles P-C4'-P energy: -51.146 tors. eta vs tors. theta energy: -121.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1341.754764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.754764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.754764 (E_RNA) where: Base-Base interactions energy: -872.057 where: short stacking energy: -401.489 Base-Backbone interact. energy: -1.393 local terms energy: -468.305439 where: bonds (distance) C4'-P energy: -91.049 bonds (distance) P-C4' energy: -92.931 flat angles C4'-P-C4' energy: -105.422 flat angles P-C4'-P energy: -74.004 tors. eta vs tors. theta energy: -104.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1274.935521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.935521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.935521 (E_RNA) where: Base-Base interactions energy: -813.619 where: short stacking energy: -372.575 Base-Backbone interact. energy: -1.020 local terms energy: -460.295542 where: bonds (distance) C4'-P energy: -91.373 bonds (distance) P-C4' energy: -99.921 flat angles C4'-P-C4' energy: -91.957 flat angles P-C4'-P energy: -63.724 tors. eta vs tors. theta energy: -113.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1138.130823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.130823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.130823 (E_RNA) where: Base-Base interactions energy: -747.463 where: short stacking energy: -355.474 Base-Backbone interact. energy: -1.451 local terms energy: -389.217018 where: bonds (distance) C4'-P energy: -80.989 bonds (distance) P-C4' energy: -91.796 flat angles C4'-P-C4' energy: -78.364 flat angles P-C4'-P energy: -67.864 tors. eta vs tors. theta energy: -70.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1017.080403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.080403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.080403 (E_RNA) where: Base-Base interactions energy: -620.977 where: short stacking energy: -311.647 Base-Backbone interact. energy: -1.980 local terms energy: -394.122545 where: bonds (distance) C4'-P energy: -90.346 bonds (distance) P-C4' energy: -78.053 flat angles C4'-P-C4' energy: -89.656 flat angles P-C4'-P energy: -58.522 tors. eta vs tors. theta energy: -77.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -897.188523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.188523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.188523 (E_RNA) where: Base-Base interactions energy: -530.388 where: short stacking energy: -259.592 Base-Backbone interact. energy: -2.182 local terms energy: -364.618324 where: bonds (distance) C4'-P energy: -79.351 bonds (distance) P-C4' energy: -88.951 flat angles C4'-P-C4' energy: -87.143 flat angles P-C4'-P energy: -61.477 tors. eta vs tors. theta energy: -47.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -752.688000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.688000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.688000 (E_RNA) where: Base-Base interactions energy: -454.118 where: short stacking energy: -225.709 Base-Backbone interact. energy: -1.314 local terms energy: -297.256917 where: bonds (distance) C4'-P energy: -68.079 bonds (distance) P-C4' energy: -88.999 flat angles C4'-P-C4' energy: -70.243 flat angles P-C4'-P energy: -51.928 tors. eta vs tors. theta energy: -18.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -488.348673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.348673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.348673 (E_RNA) where: Base-Base interactions energy: -221.995 where: short stacking energy: -158.558 Base-Backbone interact. energy: -1.245 local terms energy: -265.108368 where: bonds (distance) C4'-P energy: -81.335 bonds (distance) P-C4' energy: -86.091 flat angles C4'-P-C4' energy: -61.418 flat angles P-C4'-P energy: -46.097 tors. eta vs tors. theta energy: 9.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -469.978713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.978713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.978713 (E_RNA) where: Base-Base interactions energy: -218.227 where: short stacking energy: -152.460 Base-Backbone interact. energy: 2.567 local terms energy: -254.319312 where: bonds (distance) C4'-P energy: -74.808 bonds (distance) P-C4' energy: -68.419 flat angles C4'-P-C4' energy: -73.833 flat angles P-C4'-P energy: -39.262 tors. eta vs tors. theta energy: 2.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1503.155691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.155691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.155691 (E_RNA) where: Base-Base interactions energy: -1030.515 where: short stacking energy: -477.456 Base-Backbone interact. energy: -0.217 local terms energy: -472.423577 where: bonds (distance) C4'-P energy: -92.688 bonds (distance) P-C4' energy: -92.872 flat angles C4'-P-C4' energy: -85.598 flat angles P-C4'-P energy: -64.288 tors. eta vs tors. theta energy: -136.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1402.757507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.757507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.757507 (E_RNA) where: Base-Base interactions energy: -949.954 where: short stacking energy: -436.078 Base-Backbone interact. energy: -2.875 local terms energy: -449.928021 where: bonds (distance) C4'-P energy: -89.456 bonds (distance) P-C4' energy: -94.194 flat angles C4'-P-C4' energy: -89.029 flat angles P-C4'-P energy: -66.511 tors. eta vs tors. theta energy: -110.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1338.184951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.184951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.184951 (E_RNA) where: Base-Base interactions energy: -892.137 where: short stacking energy: -416.468 Base-Backbone interact. energy: 1.864 local terms energy: -447.911999 where: bonds (distance) C4'-P energy: -86.628 bonds (distance) P-C4' energy: -89.419 flat angles C4'-P-C4' energy: -89.976 flat angles P-C4'-P energy: -64.353 tors. eta vs tors. theta energy: -117.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1231.237616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.237616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.237616 (E_RNA) where: Base-Base interactions energy: -806.487 where: short stacking energy: -390.475 Base-Backbone interact. energy: -1.260 local terms energy: -423.491460 where: bonds (distance) C4'-P energy: -83.066 bonds (distance) P-C4' energy: -74.943 flat angles C4'-P-C4' energy: -100.590 flat angles P-C4'-P energy: -63.059 tors. eta vs tors. theta energy: -101.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1184.130163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.130163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.130163 (E_RNA) where: Base-Base interactions energy: -747.633 where: short stacking energy: -378.661 Base-Backbone interact. energy: -2.292 local terms energy: -434.204933 where: bonds (distance) C4'-P energy: -90.499 bonds (distance) P-C4' energy: -86.621 flat angles C4'-P-C4' energy: -91.123 flat angles P-C4'-P energy: -61.547 tors. eta vs tors. theta energy: -104.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -996.043197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.043197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.043197 (E_RNA) where: Base-Base interactions energy: -645.415 where: short stacking energy: -312.620 Base-Backbone interact. energy: -1.816 local terms energy: -348.812087 where: bonds (distance) C4'-P energy: -62.536 bonds (distance) P-C4' energy: -78.464 flat angles C4'-P-C4' energy: -86.719 flat angles P-C4'-P energy: -52.466 tors. eta vs tors. theta energy: -68.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -860.522273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.522273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.522273 (E_RNA) where: Base-Base interactions energy: -522.222 where: short stacking energy: -261.344 Base-Backbone interact. energy: -1.768 local terms energy: -336.532545 where: bonds (distance) C4'-P energy: -68.683 bonds (distance) P-C4' energy: -94.059 flat angles C4'-P-C4' energy: -80.136 flat angles P-C4'-P energy: -45.980 tors. eta vs tors. theta energy: -47.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -804.795326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.795326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.795326 (E_RNA) where: Base-Base interactions energy: -495.250 where: short stacking energy: -232.258 Base-Backbone interact. energy: -1.469 local terms energy: -308.075610 where: bonds (distance) C4'-P energy: -80.141 bonds (distance) P-C4' energy: -80.481 flat angles C4'-P-C4' energy: -65.050 flat angles P-C4'-P energy: -52.229 tors. eta vs tors. theta energy: -30.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -484.773957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.773957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.773957 (E_RNA) where: Base-Base interactions energy: -207.100 where: short stacking energy: -138.228 Base-Backbone interact. energy: -0.812 local terms energy: -276.861126 where: bonds (distance) C4'-P energy: -74.304 bonds (distance) P-C4' energy: -66.107 flat angles C4'-P-C4' energy: -83.109 flat angles P-C4'-P energy: -43.538 tors. eta vs tors. theta energy: -9.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -475.670756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.670756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.670756 (E_RNA) where: Base-Base interactions energy: -196.851 where: short stacking energy: -146.226 Base-Backbone interact. energy: -0.662 local terms energy: -278.157309 where: bonds (distance) C4'-P energy: -85.220 bonds (distance) P-C4' energy: -78.319 flat angles C4'-P-C4' energy: -71.871 flat angles P-C4'-P energy: -54.897 tors. eta vs tors. theta energy: 12.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1501.694759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.694759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.694759 (E_RNA) where: Base-Base interactions energy: -1019.350 where: short stacking energy: -474.768 Base-Backbone interact. energy: -3.142 local terms energy: -479.203577 where: bonds (distance) C4'-P energy: -95.530 bonds (distance) P-C4' energy: -89.259 flat angles C4'-P-C4' energy: -103.160 flat angles P-C4'-P energy: -56.817 tors. eta vs tors. theta energy: -134.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1429.327494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.327494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.327494 (E_RNA) where: Base-Base interactions energy: -957.294 where: short stacking energy: -442.505 Base-Backbone interact. energy: -2.600 local terms energy: -469.433385 where: bonds (distance) C4'-P energy: -89.015 bonds (distance) P-C4' energy: -95.299 flat angles C4'-P-C4' energy: -99.809 flat angles P-C4'-P energy: -63.388 tors. eta vs tors. theta energy: -121.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1350.900033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.900033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.900033 (E_RNA) where: Base-Base interactions energy: -887.174 where: short stacking energy: -430.624 Base-Backbone interact. energy: -0.547 local terms energy: -463.178204 where: bonds (distance) C4'-P energy: -88.563 bonds (distance) P-C4' energy: -93.579 flat angles C4'-P-C4' energy: -102.031 flat angles P-C4'-P energy: -64.490 tors. eta vs tors. theta energy: -114.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1235.231148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.231148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.231148 (E_RNA) where: Base-Base interactions energy: -787.150 where: short stacking energy: -392.077 Base-Backbone interact. energy: 0.561 local terms energy: -448.641763 where: bonds (distance) C4'-P energy: -85.962 bonds (distance) P-C4' energy: -85.888 flat angles C4'-P-C4' energy: -103.381 flat angles P-C4'-P energy: -67.811 tors. eta vs tors. theta energy: -105.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1167.650911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.650911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.650911 (E_RNA) where: Base-Base interactions energy: -754.124 where: short stacking energy: -364.801 Base-Backbone interact. energy: 0.817 local terms energy: -414.344470 where: bonds (distance) C4'-P energy: -73.695 bonds (distance) P-C4' energy: -86.050 flat angles C4'-P-C4' energy: -95.037 flat angles P-C4'-P energy: -52.839 tors. eta vs tors. theta energy: -106.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1007.763651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.763651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.763651 (E_RNA) where: Base-Base interactions energy: -624.723 where: short stacking energy: -295.523 Base-Backbone interact. energy: -2.484 local terms energy: -380.556374 where: bonds (distance) C4'-P energy: -76.999 bonds (distance) P-C4' energy: -84.510 flat angles C4'-P-C4' energy: -93.426 flat angles P-C4'-P energy: -56.171 tors. eta vs tors. theta energy: -69.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -868.560065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.560065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.560065 (E_RNA) where: Base-Base interactions energy: -543.441 where: short stacking energy: -257.443 Base-Backbone interact. energy: -0.806 local terms energy: -324.313506 where: bonds (distance) C4'-P energy: -75.776 bonds (distance) P-C4' energy: -81.068 flat angles C4'-P-C4' energy: -68.885 flat angles P-C4'-P energy: -50.606 tors. eta vs tors. theta energy: -47.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -792.634518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.634518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.634518 (E_RNA) where: Base-Base interactions energy: -502.432 where: short stacking energy: -256.636 Base-Backbone interact. energy: 2.821 local terms energy: -293.023706 where: bonds (distance) C4'-P energy: -66.159 bonds (distance) P-C4' energy: -67.894 flat angles C4'-P-C4' energy: -70.978 flat angles P-C4'-P energy: -49.882 tors. eta vs tors. theta energy: -38.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -521.623576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.623576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.623576 (E_RNA) where: Base-Base interactions energy: -253.871 where: short stacking energy: -153.905 Base-Backbone interact. energy: 2.052 local terms energy: -269.804613 where: bonds (distance) C4'-P energy: -75.344 bonds (distance) P-C4' energy: -76.226 flat angles C4'-P-C4' energy: -62.553 flat angles P-C4'-P energy: -43.360 tors. eta vs tors. theta energy: -12.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -468.832122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.832122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.832122 (E_RNA) where: Base-Base interactions energy: -206.364 where: short stacking energy: -139.848 Base-Backbone interact. energy: -0.763 local terms energy: -261.705023 where: bonds (distance) C4'-P energy: -80.617 bonds (distance) P-C4' energy: -81.627 flat angles C4'-P-C4' energy: -61.671 flat angles P-C4'-P energy: -45.415 tors. eta vs tors. theta energy: 7.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1474.850384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.850384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.850384 (E_RNA) where: Base-Base interactions energy: -982.024 where: short stacking energy: -437.686 Base-Backbone interact. energy: -1.649 local terms energy: -491.177803 where: bonds (distance) C4'-P energy: -99.402 bonds (distance) P-C4' energy: -87.811 flat angles C4'-P-C4' energy: -105.793 flat angles P-C4'-P energy: -69.100 tors. eta vs tors. theta energy: -129.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1425.688699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.688699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.688699 (E_RNA) where: Base-Base interactions energy: -953.529 where: short stacking energy: -444.025 Base-Backbone interact. energy: -2.352 local terms energy: -469.807493 where: bonds (distance) C4'-P energy: -91.999 bonds (distance) P-C4' energy: -89.204 flat angles C4'-P-C4' energy: -100.803 flat angles P-C4'-P energy: -65.249 tors. eta vs tors. theta energy: -122.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1393.862484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.862484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.862484 (E_RNA) where: Base-Base interactions energy: -925.367 where: short stacking energy: -430.897 Base-Backbone interact. energy: -1.413 local terms energy: -467.082348 where: bonds (distance) C4'-P energy: -86.356 bonds (distance) P-C4' energy: -89.303 flat angles C4'-P-C4' energy: -107.179 flat angles P-C4'-P energy: -53.992 tors. eta vs tors. theta energy: -130.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -1254.564927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.564927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.564927 (E_RNA) where: Base-Base interactions energy: -810.046 where: short stacking energy: -398.030 Base-Backbone interact. energy: -4.455 local terms energy: -440.064330 where: bonds (distance) C4'-P energy: -75.089 bonds (distance) P-C4' energy: -98.315 flat angles C4'-P-C4' energy: -96.874 flat angles P-C4'-P energy: -62.094 tors. eta vs tors. theta energy: -107.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1201.541792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.541792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.541792 (E_RNA) where: Base-Base interactions energy: -799.872 where: short stacking energy: -388.891 Base-Backbone interact. energy: 2.618 local terms energy: -404.287947 where: bonds (distance) C4'-P energy: -83.133 bonds (distance) P-C4' energy: -81.671 flat angles C4'-P-C4' energy: -93.060 flat angles P-C4'-P energy: -50.997 tors. eta vs tors. theta energy: -95.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1106.876112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.876112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.876112 (E_RNA) where: Base-Base interactions energy: -685.991 where: short stacking energy: -322.678 Base-Backbone interact. energy: -1.633 local terms energy: -419.251427 where: bonds (distance) C4'-P energy: -88.832 bonds (distance) P-C4' energy: -91.648 flat angles C4'-P-C4' energy: -88.234 flat angles P-C4'-P energy: -59.978 tors. eta vs tors. theta energy: -90.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -853.325134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.325134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.325134 (E_RNA) where: Base-Base interactions energy: -531.098 where: short stacking energy: -265.785 Base-Backbone interact. energy: -2.031 local terms energy: -320.196066 where: bonds (distance) C4'-P energy: -68.617 bonds (distance) P-C4' energy: -81.801 flat angles C4'-P-C4' energy: -76.470 flat angles P-C4'-P energy: -52.053 tors. eta vs tors. theta energy: -41.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -817.841262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.841262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.841262 (E_RNA) where: Base-Base interactions energy: -495.659 where: short stacking energy: -249.296 Base-Backbone interact. energy: -0.208 local terms energy: -321.973526 where: bonds (distance) C4'-P energy: -63.059 bonds (distance) P-C4' energy: -78.585 flat angles C4'-P-C4' energy: -82.267 flat angles P-C4'-P energy: -48.823 tors. eta vs tors. theta energy: -49.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -531.227605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.227605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.227605 (E_RNA) where: Base-Base interactions energy: -250.674 where: short stacking energy: -152.407 Base-Backbone interact. energy: 2.081 local terms energy: -282.634372 where: bonds (distance) C4'-P energy: -79.070 bonds (distance) P-C4' energy: -80.662 flat angles C4'-P-C4' energy: -78.962 flat angles P-C4'-P energy: -39.044 tors. eta vs tors. theta energy: -4.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -453.261881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.261881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.261881 (E_RNA) where: Base-Base interactions energy: -198.118 where: short stacking energy: -130.159 Base-Backbone interact. energy: -1.109 local terms energy: -254.034620 where: bonds (distance) C4'-P energy: -69.265 bonds (distance) P-C4' energy: -86.920 flat angles C4'-P-C4' energy: -61.505 flat angles P-C4'-P energy: -44.773 tors. eta vs tors. theta energy: 8.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1508.500312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.500312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.500312 (E_RNA) where: Base-Base interactions energy: -1013.591 where: short stacking energy: -456.177 Base-Backbone interact. energy: -2.551 local terms energy: -492.358491 where: bonds (distance) C4'-P energy: -91.679 bonds (distance) P-C4' energy: -91.600 flat angles C4'-P-C4' energy: -107.039 flat angles P-C4'-P energy: -67.022 tors. eta vs tors. theta energy: -135.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1404.658476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.658476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.658476 (E_RNA) where: Base-Base interactions energy: -927.037 where: short stacking energy: -436.211 Base-Backbone interact. energy: -0.907 local terms energy: -476.714579 where: bonds (distance) C4'-P energy: -88.669 bonds (distance) P-C4' energy: -106.086 flat angles C4'-P-C4' energy: -100.827 flat angles P-C4'-P energy: -61.094 tors. eta vs tors. theta energy: -120.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1333.417963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.417963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.417963 (E_RNA) where: Base-Base interactions energy: -889.272 where: short stacking energy: -388.743 Base-Backbone interact. energy: -1.440 local terms energy: -442.705710 where: bonds (distance) C4'-P energy: -91.010 bonds (distance) P-C4' energy: -90.370 flat angles C4'-P-C4' energy: -97.329 flat angles P-C4'-P energy: -48.760 tors. eta vs tors. theta energy: -115.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1294.265601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.265601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.265601 (E_RNA) where: Base-Base interactions energy: -868.659 where: short stacking energy: -370.494 Base-Backbone interact. energy: -3.609 local terms energy: -421.997851 where: bonds (distance) C4'-P energy: -77.361 bonds (distance) P-C4' energy: -78.649 flat angles C4'-P-C4' energy: -106.237 flat angles P-C4'-P energy: -59.987 tors. eta vs tors. theta energy: -99.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1207.748483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.748483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.748483 (E_RNA) where: Base-Base interactions energy: -774.724 where: short stacking energy: -367.917 Base-Backbone interact. energy: -1.296 local terms energy: -431.727817 where: bonds (distance) C4'-P energy: -76.465 bonds (distance) P-C4' energy: -93.363 flat angles C4'-P-C4' energy: -95.680 flat angles P-C4'-P energy: -63.797 tors. eta vs tors. theta energy: -102.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1096.095814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.095814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.095814 (E_RNA) where: Base-Base interactions energy: -718.792 where: short stacking energy: -337.070 Base-Backbone interact. energy: -0.484 local terms energy: -376.819294 where: bonds (distance) C4'-P energy: -76.795 bonds (distance) P-C4' energy: -72.810 flat angles C4'-P-C4' energy: -82.012 flat angles P-C4'-P energy: -54.152 tors. eta vs tors. theta energy: -91.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -881.342631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.342631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.342631 (E_RNA) where: Base-Base interactions energy: -541.185 where: short stacking energy: -267.077 Base-Backbone interact. energy: -1.101 local terms energy: -339.056685 where: bonds (distance) C4'-P energy: -76.369 bonds (distance) P-C4' energy: -76.978 flat angles C4'-P-C4' energy: -89.067 flat angles P-C4'-P energy: -50.694 tors. eta vs tors. theta energy: -45.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -674.642221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.642221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.642221 (E_RNA) where: Base-Base interactions energy: -387.717 where: short stacking energy: -191.038 Base-Backbone interact. energy: 0.061 local terms energy: -286.986343 where: bonds (distance) C4'-P energy: -72.320 bonds (distance) P-C4' energy: -79.395 flat angles C4'-P-C4' energy: -81.091 flat angles P-C4'-P energy: -43.258 tors. eta vs tors. theta energy: -10.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -543.798989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.798989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.798989 (E_RNA) where: Base-Base interactions energy: -263.296 where: short stacking energy: -147.096 Base-Backbone interact. energy: -1.151 local terms energy: -279.351434 where: bonds (distance) C4'-P energy: -70.646 bonds (distance) P-C4' energy: -83.301 flat angles C4'-P-C4' energy: -78.290 flat angles P-C4'-P energy: -48.329 tors. eta vs tors. theta energy: 1.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -456.837389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.837389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.837389 (E_RNA) where: Base-Base interactions energy: -233.446 where: short stacking energy: -129.605 Base-Backbone interact. energy: -0.143 local terms energy: -223.248710 where: bonds (distance) C4'-P energy: -68.386 bonds (distance) P-C4' energy: -72.109 flat angles C4'-P-C4' energy: -51.176 flat angles P-C4'-P energy: -41.372 tors. eta vs tors. theta energy: 9.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1522.050174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.050174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.050174 (E_RNA) where: Base-Base interactions energy: -1012.579 where: short stacking energy: -465.946 Base-Backbone interact. energy: -2.232 local terms energy: -507.238980 where: bonds (distance) C4'-P energy: -101.283 bonds (distance) P-C4' energy: -90.886 flat angles C4'-P-C4' energy: -110.824 flat angles P-C4'-P energy: -73.313 tors. eta vs tors. theta energy: -130.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1390.957378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.957378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.957378 (E_RNA) where: Base-Base interactions energy: -916.456 where: short stacking energy: -427.543 Base-Backbone interact. energy: -2.519 local terms energy: -471.982975 where: bonds (distance) C4'-P energy: -96.062 bonds (distance) P-C4' energy: -94.595 flat angles C4'-P-C4' energy: -85.780 flat angles P-C4'-P energy: -73.733 tors. eta vs tors. theta energy: -121.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1339.045702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.045702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.045702 (E_RNA) where: Base-Base interactions energy: -914.241 where: short stacking energy: -405.592 Base-Backbone interact. energy: 2.857 local terms energy: -427.661070 where: bonds (distance) C4'-P energy: -78.383 bonds (distance) P-C4' energy: -80.692 flat angles C4'-P-C4' energy: -100.100 flat angles P-C4'-P energy: -65.319 tors. eta vs tors. theta energy: -103.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1300.272851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.272851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.272851 (E_RNA) where: Base-Base interactions energy: -868.898 where: short stacking energy: -382.686 Base-Backbone interact. energy: -1.831 local terms energy: -429.543434 where: bonds (distance) C4'-P energy: -87.686 bonds (distance) P-C4' energy: -91.250 flat angles C4'-P-C4' energy: -88.742 flat angles P-C4'-P energy: -59.256 tors. eta vs tors. theta energy: -102.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1211.847322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.847322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.847322 (E_RNA) where: Base-Base interactions energy: -775.010 where: short stacking energy: -368.162 Base-Backbone interact. energy: 1.921 local terms energy: -438.758481 where: bonds (distance) C4'-P energy: -88.320 bonds (distance) P-C4' energy: -94.208 flat angles C4'-P-C4' energy: -101.590 flat angles P-C4'-P energy: -58.489 tors. eta vs tors. theta energy: -96.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1031.620663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.620663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.620663 (E_RNA) where: Base-Base interactions energy: -647.460 where: short stacking energy: -326.130 Base-Backbone interact. energy: -0.741 local terms energy: -383.419588 where: bonds (distance) C4'-P energy: -82.143 bonds (distance) P-C4' energy: -79.660 flat angles C4'-P-C4' energy: -99.253 flat angles P-C4'-P energy: -44.235 tors. eta vs tors. theta energy: -78.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -968.635493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.635493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.635493 (E_RNA) where: Base-Base interactions energy: -621.845 where: short stacking energy: -269.593 Base-Backbone interact. energy: 3.144 local terms energy: -349.934764 where: bonds (distance) C4'-P energy: -88.922 bonds (distance) P-C4' energy: -87.501 flat angles C4'-P-C4' energy: -81.535 flat angles P-C4'-P energy: -47.903 tors. eta vs tors. theta energy: -44.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -718.187355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.187355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.187355 (E_RNA) where: Base-Base interactions energy: -427.696 where: short stacking energy: -197.795 Base-Backbone interact. energy: 1.011 local terms energy: -291.502177 where: bonds (distance) C4'-P energy: -66.490 bonds (distance) P-C4' energy: -77.361 flat angles C4'-P-C4' energy: -71.508 flat angles P-C4'-P energy: -49.278 tors. eta vs tors. theta energy: -26.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -503.047729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.047729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.047729 (E_RNA) where: Base-Base interactions energy: -214.809 where: short stacking energy: -132.096 Base-Backbone interact. energy: -0.420 local terms energy: -287.818528 where: bonds (distance) C4'-P energy: -78.448 bonds (distance) P-C4' energy: -82.880 flat angles C4'-P-C4' energy: -81.723 flat angles P-C4'-P energy: -38.096 tors. eta vs tors. theta energy: -6.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -443.219076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.219076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.219076 (E_RNA) where: Base-Base interactions energy: -201.312 where: short stacking energy: -141.482 Base-Backbone interact. energy: -2.254 local terms energy: -239.652940 where: bonds (distance) C4'-P energy: -79.421 bonds (distance) P-C4' energy: -73.793 flat angles C4'-P-C4' energy: -67.399 flat angles P-C4'-P energy: -28.050 tors. eta vs tors. theta energy: 9.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1541.956665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.956665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.956665 (E_RNA) where: Base-Base interactions energy: -1028.262 where: short stacking energy: -489.292 Base-Backbone interact. energy: -3.054 local terms energy: -510.640948 where: bonds (distance) C4'-P energy: -91.924 bonds (distance) P-C4' energy: -94.060 flat angles C4'-P-C4' energy: -108.090 flat angles P-C4'-P energy: -68.695 tors. eta vs tors. theta energy: -147.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1463.235035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.235035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.235035 (E_RNA) where: Base-Base interactions energy: -977.851 where: short stacking energy: -444.097 Base-Backbone interact. energy: -1.256 local terms energy: -484.127939 where: bonds (distance) C4'-P energy: -103.524 bonds (distance) P-C4' energy: -93.219 flat angles C4'-P-C4' energy: -102.215 flat angles P-C4'-P energy: -61.304 tors. eta vs tors. theta energy: -123.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1274.511614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.511614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.511614 (E_RNA) where: Base-Base interactions energy: -815.375 where: short stacking energy: -403.060 Base-Backbone interact. energy: -1.189 local terms energy: -457.947634 where: bonds (distance) C4'-P energy: -85.368 bonds (distance) P-C4' energy: -99.208 flat angles C4'-P-C4' energy: -89.737 flat angles P-C4'-P energy: -82.845 tors. eta vs tors. theta energy: -100.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1279.361603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.361603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.361603 (E_RNA) where: Base-Base interactions energy: -847.117 where: short stacking energy: -385.832 Base-Backbone interact. energy: -1.205 local terms energy: -431.039404 where: bonds (distance) C4'-P energy: -84.626 bonds (distance) P-C4' energy: -76.476 flat angles C4'-P-C4' energy: -99.445 flat angles P-C4'-P energy: -66.188 tors. eta vs tors. theta energy: -104.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1150.561666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.561666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.561666 (E_RNA) where: Base-Base interactions energy: -741.692 where: short stacking energy: -333.866 Base-Backbone interact. energy: 1.505 local terms energy: -410.373772 where: bonds (distance) C4'-P energy: -91.092 bonds (distance) P-C4' energy: -91.585 flat angles C4'-P-C4' energy: -89.473 flat angles P-C4'-P energy: -56.434 tors. eta vs tors. theta energy: -81.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1045.867759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.867759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.867759 (E_RNA) where: Base-Base interactions energy: -626.411 where: short stacking energy: -321.595 Base-Backbone interact. energy: -2.077 local terms energy: -417.379932 where: bonds (distance) C4'-P energy: -86.532 bonds (distance) P-C4' energy: -80.132 flat angles C4'-P-C4' energy: -83.066 flat angles P-C4'-P energy: -74.676 tors. eta vs tors. theta energy: -92.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -992.758638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.758638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.758638 (E_RNA) where: Base-Base interactions energy: -641.485 where: short stacking energy: -312.572 Base-Backbone interact. energy: 0.907 local terms energy: -352.180516 where: bonds (distance) C4'-P energy: -80.084 bonds (distance) P-C4' energy: -84.014 flat angles C4'-P-C4' energy: -69.370 flat angles P-C4'-P energy: -56.683 tors. eta vs tors. theta energy: -62.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -773.933695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.933695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.933695 (E_RNA) where: Base-Base interactions energy: -442.701 where: short stacking energy: -240.222 Base-Backbone interact. energy: 2.644 local terms energy: -333.876803 where: bonds (distance) C4'-P energy: -82.390 bonds (distance) P-C4' energy: -81.620 flat angles C4'-P-C4' energy: -96.470 flat angles P-C4'-P energy: -50.093 tors. eta vs tors. theta energy: -23.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -491.418497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.418497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.418497 (E_RNA) where: Base-Base interactions energy: -241.762 where: short stacking energy: -165.125 Base-Backbone interact. energy: 0.533 local terms energy: -250.189554 where: bonds (distance) C4'-P energy: -67.932 bonds (distance) P-C4' energy: -79.748 flat angles C4'-P-C4' energy: -78.241 flat angles P-C4'-P energy: -36.984 tors. eta vs tors. theta energy: 12.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -446.087288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.087288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.087288 (E_RNA) where: Base-Base interactions energy: -190.809 where: short stacking energy: -129.103 Base-Backbone interact. energy: 1.212 local terms energy: -256.489466 where: bonds (distance) C4'-P energy: -72.340 bonds (distance) P-C4' energy: -89.437 flat angles C4'-P-C4' energy: -63.164 flat angles P-C4'-P energy: -35.790 tors. eta vs tors. theta energy: 4.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1544.833964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.833964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.833964 (E_RNA) where: Base-Base interactions energy: -1041.114 where: short stacking energy: -456.754 Base-Backbone interact. energy: -3.387 local terms energy: -500.333344 where: bonds (distance) C4'-P energy: -99.331 bonds (distance) P-C4' energy: -101.961 flat angles C4'-P-C4' energy: -99.442 flat angles P-C4'-P energy: -64.025 tors. eta vs tors. theta energy: -135.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1472.998673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.998673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.998673 (E_RNA) where: Base-Base interactions energy: -997.461 where: short stacking energy: -427.361 Base-Backbone interact. energy: -5.883 local terms energy: -469.654365 where: bonds (distance) C4'-P energy: -85.409 bonds (distance) P-C4' energy: -90.066 flat angles C4'-P-C4' energy: -104.529 flat angles P-C4'-P energy: -74.101 tors. eta vs tors. theta energy: -115.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1311.846253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.846253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.846253 (E_RNA) where: Base-Base interactions energy: -873.021 where: short stacking energy: -388.924 Base-Backbone interact. energy: -1.053 local terms energy: -437.772144 where: bonds (distance) C4'-P energy: -83.852 bonds (distance) P-C4' energy: -92.773 flat angles C4'-P-C4' energy: -104.037 flat angles P-C4'-P energy: -68.259 tors. eta vs tors. theta energy: -88.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1300.049700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.049700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.049700 (E_RNA) where: Base-Base interactions energy: -850.800 where: short stacking energy: -385.703 Base-Backbone interact. energy: -3.167 local terms energy: -446.081948 where: bonds (distance) C4'-P energy: -75.186 bonds (distance) P-C4' energy: -83.404 flat angles C4'-P-C4' energy: -91.501 flat angles P-C4'-P energy: -75.515 tors. eta vs tors. theta energy: -120.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1151.676221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.676221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.676221 (E_RNA) where: Base-Base interactions energy: -753.514 where: short stacking energy: -368.727 Base-Backbone interact. energy: -0.730 local terms energy: -397.431639 where: bonds (distance) C4'-P energy: -83.709 bonds (distance) P-C4' energy: -82.917 flat angles C4'-P-C4' energy: -90.846 flat angles P-C4'-P energy: -64.751 tors. eta vs tors. theta energy: -75.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1048.283818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.283818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.283818 (E_RNA) where: Base-Base interactions energy: -651.577 where: short stacking energy: -313.727 Base-Backbone interact. energy: -1.399 local terms energy: -395.307566 where: bonds (distance) C4'-P energy: -82.113 bonds (distance) P-C4' energy: -89.499 flat angles C4'-P-C4' energy: -92.379 flat angles P-C4'-P energy: -53.417 tors. eta vs tors. theta energy: -77.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -990.080552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.080552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.080552 (E_RNA) where: Base-Base interactions energy: -624.925 where: short stacking energy: -302.916 Base-Backbone interact. energy: 1.523 local terms energy: -366.677795 where: bonds (distance) C4'-P energy: -86.140 bonds (distance) P-C4' energy: -75.581 flat angles C4'-P-C4' energy: -78.451 flat angles P-C4'-P energy: -64.885 tors. eta vs tors. theta energy: -61.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -724.733287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.733287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.733287 (E_RNA) where: Base-Base interactions energy: -412.723 where: short stacking energy: -228.289 Base-Backbone interact. energy: 0.448 local terms energy: -312.458404 where: bonds (distance) C4'-P energy: -83.262 bonds (distance) P-C4' energy: -66.259 flat angles C4'-P-C4' energy: -91.175 flat angles P-C4'-P energy: -32.140 tors. eta vs tors. theta energy: -39.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -489.859637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.859637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.859637 (E_RNA) where: Base-Base interactions energy: -235.479 where: short stacking energy: -154.453 Base-Backbone interact. energy: -0.553 local terms energy: -253.827413 where: bonds (distance) C4'-P energy: -58.617 bonds (distance) P-C4' energy: -81.144 flat angles C4'-P-C4' energy: -73.299 flat angles P-C4'-P energy: -37.648 tors. eta vs tors. theta energy: -3.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -450.424844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.424844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.424844 (E_RNA) where: Base-Base interactions energy: -190.142 where: short stacking energy: -125.157 Base-Backbone interact. energy: 1.799 local terms energy: -262.081195 where: bonds (distance) C4'-P energy: -79.680 bonds (distance) P-C4' energy: -68.788 flat angles C4'-P-C4' energy: -67.964 flat angles P-C4'-P energy: -49.028 tors. eta vs tors. theta energy: 3.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1562.398347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.398347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.398347 (E_RNA) where: Base-Base interactions energy: -1035.648 where: short stacking energy: -487.830 Base-Backbone interact. energy: -3.856 local terms energy: -522.894893 where: bonds (distance) C4'-P energy: -102.807 bonds (distance) P-C4' energy: -102.811 flat angles C4'-P-C4' energy: -109.943 flat angles P-C4'-P energy: -67.326 tors. eta vs tors. theta energy: -140.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1414.667623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.667623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.667623 (E_RNA) where: Base-Base interactions energy: -936.660 where: short stacking energy: -407.338 Base-Backbone interact. energy: -1.534 local terms energy: -476.473380 where: bonds (distance) C4'-P energy: -87.959 bonds (distance) P-C4' energy: -106.592 flat angles C4'-P-C4' energy: -103.374 flat angles P-C4'-P energy: -58.753 tors. eta vs tors. theta energy: -119.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1313.981250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.981250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.981250 (E_RNA) where: Base-Base interactions energy: -855.307 where: short stacking energy: -399.262 Base-Backbone interact. energy: -2.420 local terms energy: -456.253553 where: bonds (distance) C4'-P energy: -95.361 bonds (distance) P-C4' energy: -80.173 flat angles C4'-P-C4' energy: -107.405 flat angles P-C4'-P energy: -70.902 tors. eta vs tors. theta energy: -102.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1266.423324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.423324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.423324 (E_RNA) where: Base-Base interactions energy: -816.928 where: short stacking energy: -410.971 Base-Backbone interact. energy: 1.767 local terms energy: -451.262580 where: bonds (distance) C4'-P energy: -91.061 bonds (distance) P-C4' energy: -83.897 flat angles C4'-P-C4' energy: -96.698 flat angles P-C4'-P energy: -61.224 tors. eta vs tors. theta energy: -118.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1153.446249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.446249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.446249 (E_RNA) where: Base-Base interactions energy: -750.453 where: short stacking energy: -342.657 Base-Backbone interact. energy: 1.337 local terms energy: -404.330667 where: bonds (distance) C4'-P energy: -90.817 bonds (distance) P-C4' energy: -86.395 flat angles C4'-P-C4' energy: -92.509 flat angles P-C4'-P energy: -54.601 tors. eta vs tors. theta energy: -80.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1001.406814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.406814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.406814 (E_RNA) where: Base-Base interactions energy: -632.265 where: short stacking energy: -318.980 Base-Backbone interact. energy: 0.646 local terms energy: -369.787775 where: bonds (distance) C4'-P energy: -84.647 bonds (distance) P-C4' energy: -86.186 flat angles C4'-P-C4' energy: -75.017 flat angles P-C4'-P energy: -49.281 tors. eta vs tors. theta energy: -74.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -999.705424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.705424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.705424 (E_RNA) where: Base-Base interactions energy: -622.187 where: short stacking energy: -299.469 Base-Backbone interact. energy: -1.342 local terms energy: -376.176799 where: bonds (distance) C4'-P energy: -74.878 bonds (distance) P-C4' energy: -76.542 flat angles C4'-P-C4' energy: -94.580 flat angles P-C4'-P energy: -55.205 tors. eta vs tors. theta energy: -74.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -731.303479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.303479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.303479 (E_RNA) where: Base-Base interactions energy: -412.948 where: short stacking energy: -192.215 Base-Backbone interact. energy: -2.392 local terms energy: -315.963584 where: bonds (distance) C4'-P energy: -66.051 bonds (distance) P-C4' energy: -79.908 flat angles C4'-P-C4' energy: -83.550 flat angles P-C4'-P energy: -56.896 tors. eta vs tors. theta energy: -29.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -511.676148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.676148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.676148 (E_RNA) where: Base-Base interactions energy: -233.427 where: short stacking energy: -163.710 Base-Backbone interact. energy: 4.720 local terms energy: -282.969374 where: bonds (distance) C4'-P energy: -66.506 bonds (distance) P-C4' energy: -83.700 flat angles C4'-P-C4' energy: -79.683 flat angles P-C4'-P energy: -41.720 tors. eta vs tors. theta energy: -11.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -430.555135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.555135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.555135 (E_RNA) where: Base-Base interactions energy: -196.281 where: short stacking energy: -128.039 Base-Backbone interact. energy: 2.042 local terms energy: -236.316804 where: bonds (distance) C4'-P energy: -80.046 bonds (distance) P-C4' energy: -67.577 flat angles C4'-P-C4' energy: -56.014 flat angles P-C4'-P energy: -50.037 tors. eta vs tors. theta energy: 17.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1530.429600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.429600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.429600 (E_RNA) where: Base-Base interactions energy: -1032.113 where: short stacking energy: -461.866 Base-Backbone interact. energy: -2.641 local terms energy: -495.675631 where: bonds (distance) C4'-P energy: -88.633 bonds (distance) P-C4' energy: -98.443 flat angles C4'-P-C4' energy: -96.517 flat angles P-C4'-P energy: -77.460 tors. eta vs tors. theta energy: -134.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1451.373490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.373490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.373490 (E_RNA) where: Base-Base interactions energy: -962.279 where: short stacking energy: -444.924 Base-Backbone interact. energy: 4.841 local terms energy: -493.935956 where: bonds (distance) C4'-P energy: -97.723 bonds (distance) P-C4' energy: -92.883 flat angles C4'-P-C4' energy: -101.915 flat angles P-C4'-P energy: -73.900 tors. eta vs tors. theta energy: -127.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1341.584255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.584255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.584255 (E_RNA) where: Base-Base interactions energy: -879.800 where: short stacking energy: -421.995 Base-Backbone interact. energy: -2.576 local terms energy: -459.208547 where: bonds (distance) C4'-P energy: -88.087 bonds (distance) P-C4' energy: -90.542 flat angles C4'-P-C4' energy: -98.689 flat angles P-C4'-P energy: -62.554 tors. eta vs tors. theta energy: -119.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1260.798743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.798743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.798743 (E_RNA) where: Base-Base interactions energy: -840.320 where: short stacking energy: -371.560 Base-Backbone interact. energy: 0.396 local terms energy: -420.874523 where: bonds (distance) C4'-P energy: -88.254 bonds (distance) P-C4' energy: -79.430 flat angles C4'-P-C4' energy: -98.574 flat angles P-C4'-P energy: -58.736 tors. eta vs tors. theta energy: -95.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1120.053315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.053315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.053315 (E_RNA) where: Base-Base interactions energy: -747.529 where: short stacking energy: -341.415 Base-Backbone interact. energy: -1.846 local terms energy: -370.677934 where: bonds (distance) C4'-P energy: -74.974 bonds (distance) P-C4' energy: -90.954 flat angles C4'-P-C4' energy: -83.741 flat angles P-C4'-P energy: -55.040 tors. eta vs tors. theta energy: -65.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -960.782155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.782155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.782155 (E_RNA) where: Base-Base interactions energy: -624.603 where: short stacking energy: -297.178 Base-Backbone interact. energy: 2.823 local terms energy: -339.001951 where: bonds (distance) C4'-P energy: -81.358 bonds (distance) P-C4' energy: -79.104 flat angles C4'-P-C4' energy: -74.903 flat angles P-C4'-P energy: -40.716 tors. eta vs tors. theta energy: -62.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -983.620026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.620026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.620026 (E_RNA) where: Base-Base interactions energy: -599.738 where: short stacking energy: -299.487 Base-Backbone interact. energy: -1.688 local terms energy: -382.194615 where: bonds (distance) C4'-P energy: -72.175 bonds (distance) P-C4' energy: -92.245 flat angles C4'-P-C4' energy: -92.129 flat angles P-C4'-P energy: -51.848 tors. eta vs tors. theta energy: -73.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -719.697819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.697819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.697819 (E_RNA) where: Base-Base interactions energy: -405.405 where: short stacking energy: -197.388 Base-Backbone interact. energy: -1.084 local terms energy: -313.208833 where: bonds (distance) C4'-P energy: -75.682 bonds (distance) P-C4' energy: -89.283 flat angles C4'-P-C4' energy: -82.120 flat angles P-C4'-P energy: -44.873 tors. eta vs tors. theta energy: -21.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -482.801725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.801725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.801725 (E_RNA) where: Base-Base interactions energy: -217.797 where: short stacking energy: -148.938 Base-Backbone interact. energy: 2.589 local terms energy: -267.593890 where: bonds (distance) C4'-P energy: -76.568 bonds (distance) P-C4' energy: -92.440 flat angles C4'-P-C4' energy: -56.678 flat angles P-C4'-P energy: -41.010 tors. eta vs tors. theta energy: -0.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -423.527286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.527286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.527286 (E_RNA) where: Base-Base interactions energy: -161.487 where: short stacking energy: -121.800 Base-Backbone interact. energy: -1.525 local terms energy: -260.515743 where: bonds (distance) C4'-P energy: -72.573 bonds (distance) P-C4' energy: -92.352 flat angles C4'-P-C4' energy: -62.722 flat angles P-C4'-P energy: -41.418 tors. eta vs tors. theta energy: 8.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1519.530100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.530100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.530100 (E_RNA) where: Base-Base interactions energy: -1002.695 where: short stacking energy: -472.622 Base-Backbone interact. energy: -4.553 local terms energy: -512.282453 where: bonds (distance) C4'-P energy: -95.935 bonds (distance) P-C4' energy: -104.061 flat angles C4'-P-C4' energy: -100.759 flat angles P-C4'-P energy: -69.846 tors. eta vs tors. theta energy: -141.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1432.352283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.352283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.352283 (E_RNA) where: Base-Base interactions energy: -956.592 where: short stacking energy: -453.525 Base-Backbone interact. energy: -1.173 local terms energy: -474.587025 where: bonds (distance) C4'-P energy: -87.903 bonds (distance) P-C4' energy: -91.255 flat angles C4'-P-C4' energy: -96.136 flat angles P-C4'-P energy: -75.325 tors. eta vs tors. theta energy: -123.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1345.950799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.950799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.950799 (E_RNA) where: Base-Base interactions energy: -874.924 where: short stacking energy: -431.901 Base-Backbone interact. energy: 0.459 local terms energy: -471.486083 where: bonds (distance) C4'-P energy: -83.038 bonds (distance) P-C4' energy: -93.252 flat angles C4'-P-C4' energy: -95.341 flat angles P-C4'-P energy: -67.713 tors. eta vs tors. theta energy: -132.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1282.308151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.308151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.308151 (E_RNA) where: Base-Base interactions energy: -828.239 where: short stacking energy: -380.595 Base-Backbone interact. energy: -0.824 local terms energy: -453.244871 where: bonds (distance) C4'-P energy: -84.475 bonds (distance) P-C4' energy: -96.683 flat angles C4'-P-C4' energy: -96.730 flat angles P-C4'-P energy: -70.696 tors. eta vs tors. theta energy: -104.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1173.929968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.929968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.929968 (E_RNA) where: Base-Base interactions energy: -783.698 where: short stacking energy: -358.211 Base-Backbone interact. energy: -1.901 local terms energy: -388.331028 where: bonds (distance) C4'-P energy: -76.072 bonds (distance) P-C4' energy: -82.026 flat angles C4'-P-C4' energy: -92.295 flat angles P-C4'-P energy: -53.532 tors. eta vs tors. theta energy: -84.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1046.810135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.810135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.810135 (E_RNA) where: Base-Base interactions energy: -672.925 where: short stacking energy: -344.668 Base-Backbone interact. energy: -2.235 local terms energy: -371.650417 where: bonds (distance) C4'-P energy: -74.864 bonds (distance) P-C4' energy: -88.440 flat angles C4'-P-C4' energy: -85.558 flat angles P-C4'-P energy: -46.459 tors. eta vs tors. theta energy: -76.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -906.382896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.382896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.382896 (E_RNA) where: Base-Base interactions energy: -564.189 where: short stacking energy: -253.151 Base-Backbone interact. energy: -2.000 local terms energy: -340.194061 where: bonds (distance) C4'-P energy: -69.886 bonds (distance) P-C4' energy: -95.023 flat angles C4'-P-C4' energy: -75.217 flat angles P-C4'-P energy: -57.626 tors. eta vs tors. theta energy: -42.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -746.903315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.903315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.903315 (E_RNA) where: Base-Base interactions energy: -444.655 where: short stacking energy: -227.357 Base-Backbone interact. energy: -2.896 local terms energy: -299.352128 where: bonds (distance) C4'-P energy: -77.072 bonds (distance) P-C4' energy: -78.958 flat angles C4'-P-C4' energy: -51.052 flat angles P-C4'-P energy: -50.293 tors. eta vs tors. theta energy: -41.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -499.581568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.581568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.581568 (E_RNA) where: Base-Base interactions energy: -213.654 where: short stacking energy: -148.407 Base-Backbone interact. energy: -3.373 local terms energy: -282.554499 where: bonds (distance) C4'-P energy: -74.191 bonds (distance) P-C4' energy: -77.208 flat angles C4'-P-C4' energy: -69.075 flat angles P-C4'-P energy: -57.506 tors. eta vs tors. theta energy: -4.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -415.995083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.995083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.995083 (E_RNA) where: Base-Base interactions energy: -177.154 where: short stacking energy: -104.734 Base-Backbone interact. energy: 1.044 local terms energy: -239.884797 where: bonds (distance) C4'-P energy: -68.792 bonds (distance) P-C4' energy: -78.982 flat angles C4'-P-C4' energy: -77.850 flat angles P-C4'-P energy: -37.178 tors. eta vs tors. theta energy: 22.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1467.996551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.996551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.996551 (E_RNA) where: Base-Base interactions energy: -996.954 where: short stacking energy: -446.090 Base-Backbone interact. energy: -2.235 local terms energy: -468.807859 where: bonds (distance) C4'-P energy: -81.227 bonds (distance) P-C4' energy: -91.726 flat angles C4'-P-C4' energy: -106.779 flat angles P-C4'-P energy: -68.784 tors. eta vs tors. theta energy: -120.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1457.239027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.239027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.239027 (E_RNA) where: Base-Base interactions energy: -1001.087 where: short stacking energy: -449.693 Base-Backbone interact. energy: 0.583 local terms energy: -456.734108 where: bonds (distance) C4'-P energy: -80.532 bonds (distance) P-C4' energy: -80.292 flat angles C4'-P-C4' energy: -105.062 flat angles P-C4'-P energy: -62.682 tors. eta vs tors. theta energy: -128.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1307.749115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.749115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.749115 (E_RNA) where: Base-Base interactions energy: -885.569 where: short stacking energy: -397.102 Base-Backbone interact. energy: 10.843 local terms energy: -433.022730 where: bonds (distance) C4'-P energy: -97.914 bonds (distance) P-C4' energy: -88.704 flat angles C4'-P-C4' energy: -85.441 flat angles P-C4'-P energy: -55.707 tors. eta vs tors. theta energy: -105.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1305.776937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.776937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.776937 (E_RNA) where: Base-Base interactions energy: -852.653 where: short stacking energy: -434.313 Base-Backbone interact. energy: -1.877 local terms energy: -451.247441 where: bonds (distance) C4'-P energy: -82.328 bonds (distance) P-C4' energy: -76.589 flat angles C4'-P-C4' energy: -99.119 flat angles P-C4'-P energy: -61.688 tors. eta vs tors. theta energy: -131.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1156.021883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.021883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.021883 (E_RNA) where: Base-Base interactions energy: -754.821 where: short stacking energy: -346.652 Base-Backbone interact. energy: 0.110 local terms energy: -401.310946 where: bonds (distance) C4'-P energy: -86.091 bonds (distance) P-C4' energy: -77.260 flat angles C4'-P-C4' energy: -88.979 flat angles P-C4'-P energy: -55.099 tors. eta vs tors. theta energy: -93.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1063.297372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.297372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.297372 (E_RNA) where: Base-Base interactions energy: -678.154 where: short stacking energy: -330.488 Base-Backbone interact. energy: -3.627 local terms energy: -381.516453 where: bonds (distance) C4'-P energy: -63.416 bonds (distance) P-C4' energy: -81.313 flat angles C4'-P-C4' energy: -86.290 flat angles P-C4'-P energy: -63.244 tors. eta vs tors. theta energy: -87.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -865.615956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.615956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.615956 (E_RNA) where: Base-Base interactions energy: -530.502 where: short stacking energy: -243.061 Base-Backbone interact. energy: -1.772 local terms energy: -333.341908 where: bonds (distance) C4'-P energy: -87.469 bonds (distance) P-C4' energy: -80.970 flat angles C4'-P-C4' energy: -73.101 flat angles P-C4'-P energy: -51.989 tors. eta vs tors. theta energy: -39.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -651.337514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.337514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.337514 (E_RNA) where: Base-Base interactions energy: -336.797 where: short stacking energy: -184.129 Base-Backbone interact. energy: -0.277 local terms energy: -314.263741 where: bonds (distance) C4'-P energy: -78.455 bonds (distance) P-C4' energy: -83.734 flat angles C4'-P-C4' energy: -85.931 flat angles P-C4'-P energy: -42.475 tors. eta vs tors. theta energy: -23.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -495.913379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.913379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.913379 (E_RNA) where: Base-Base interactions energy: -223.404 where: short stacking energy: -152.860 Base-Backbone interact. energy: -1.359 local terms energy: -271.151113 where: bonds (distance) C4'-P energy: -63.409 bonds (distance) P-C4' energy: -81.956 flat angles C4'-P-C4' energy: -73.739 flat angles P-C4'-P energy: -45.200 tors. eta vs tors. theta energy: -6.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -471.278073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.278073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.278073 (E_RNA) where: Base-Base interactions energy: -192.163 where: short stacking energy: -115.037 Base-Backbone interact. energy: -0.762 local terms energy: -278.352794 where: bonds (distance) C4'-P energy: -72.887 bonds (distance) P-C4' energy: -92.268 flat angles C4'-P-C4' energy: -55.407 flat angles P-C4'-P energy: -55.878 tors. eta vs tors. theta energy: -1.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1467.745480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.745480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.745480 (E_RNA) where: Base-Base interactions energy: -984.956 where: short stacking energy: -413.823 Base-Backbone interact. energy: -4.773 local terms energy: -478.016850 where: bonds (distance) C4'-P energy: -94.334 bonds (distance) P-C4' energy: -96.049 flat angles C4'-P-C4' energy: -97.433 flat angles P-C4'-P energy: -68.150 tors. eta vs tors. theta energy: -122.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1482.673002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.673002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.673002 (E_RNA) where: Base-Base interactions energy: -1029.996 where: short stacking energy: -454.193 Base-Backbone interact. energy: -2.742 local terms energy: -449.935405 where: bonds (distance) C4'-P energy: -84.502 bonds (distance) P-C4' energy: -83.136 flat angles C4'-P-C4' energy: -100.965 flat angles P-C4'-P energy: -56.087 tors. eta vs tors. theta energy: -125.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1352.183230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.183230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.183230 (E_RNA) where: Base-Base interactions energy: -895.515 where: short stacking energy: -396.797 Base-Backbone interact. energy: -2.433 local terms energy: -454.235109 where: bonds (distance) C4'-P energy: -87.213 bonds (distance) P-C4' energy: -88.289 flat angles C4'-P-C4' energy: -103.698 flat angles P-C4'-P energy: -64.831 tors. eta vs tors. theta energy: -110.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1266.157852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.157852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.157852 (E_RNA) where: Base-Base interactions energy: -836.062 where: short stacking energy: -385.813 Base-Backbone interact. energy: -1.372 local terms energy: -428.724156 where: bonds (distance) C4'-P energy: -79.833 bonds (distance) P-C4' energy: -82.000 flat angles C4'-P-C4' energy: -97.239 flat angles P-C4'-P energy: -64.185 tors. eta vs tors. theta energy: -105.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1215.893580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.893580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.893580 (E_RNA) where: Base-Base interactions energy: -772.443 where: short stacking energy: -360.753 Base-Backbone interact. energy: -0.875 local terms energy: -442.575199 where: bonds (distance) C4'-P energy: -89.894 bonds (distance) P-C4' energy: -95.931 flat angles C4'-P-C4' energy: -90.970 flat angles P-C4'-P energy: -62.668 tors. eta vs tors. theta energy: -103.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1058.761682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.761682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.761682 (E_RNA) where: Base-Base interactions energy: -671.597 where: short stacking energy: -323.731 Base-Backbone interact. energy: -1.539 local terms energy: -385.624956 where: bonds (distance) C4'-P energy: -73.828 bonds (distance) P-C4' energy: -83.608 flat angles C4'-P-C4' energy: -96.730 flat angles P-C4'-P energy: -59.551 tors. eta vs tors. theta energy: -71.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -832.817170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.817170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.817170 (E_RNA) where: Base-Base interactions energy: -513.594 where: short stacking energy: -237.936 Base-Backbone interact. energy: -3.427 local terms energy: -315.796170 where: bonds (distance) C4'-P energy: -66.171 bonds (distance) P-C4' energy: -70.200 flat angles C4'-P-C4' energy: -95.888 flat angles P-C4'-P energy: -42.838 tors. eta vs tors. theta energy: -40.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -683.736206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.736206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.736206 (E_RNA) where: Base-Base interactions energy: -390.538 where: short stacking energy: -214.110 Base-Backbone interact. energy: -2.214 local terms energy: -290.984421 where: bonds (distance) C4'-P energy: -61.517 bonds (distance) P-C4' energy: -85.117 flat angles C4'-P-C4' energy: -82.876 flat angles P-C4'-P energy: -27.512 tors. eta vs tors. theta energy: -33.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -490.431518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.431518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.431518 (E_RNA) where: Base-Base interactions energy: -229.341 where: short stacking energy: -148.617 Base-Backbone interact. energy: 0.431 local terms energy: -261.522127 where: bonds (distance) C4'-P energy: -80.107 bonds (distance) P-C4' energy: -72.326 flat angles C4'-P-C4' energy: -71.121 flat angles P-C4'-P energy: -40.555 tors. eta vs tors. theta energy: 2.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -465.091294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.091294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.091294 (E_RNA) where: Base-Base interactions energy: -184.326 where: short stacking energy: -110.746 Base-Backbone interact. energy: 1.601 local terms energy: -282.366439 where: bonds (distance) C4'-P energy: -78.203 bonds (distance) P-C4' energy: -103.576 flat angles C4'-P-C4' energy: -55.071 flat angles P-C4'-P energy: -52.158 tors. eta vs tors. theta energy: 6.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1502.622723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.622723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.622723 (E_RNA) where: Base-Base interactions energy: -1020.670 where: short stacking energy: -456.433 Base-Backbone interact. energy: -6.484 local terms energy: -475.469066 where: bonds (distance) C4'-P energy: -85.715 bonds (distance) P-C4' energy: -93.638 flat angles C4'-P-C4' energy: -102.118 flat angles P-C4'-P energy: -63.724 tors. eta vs tors. theta energy: -130.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1463.591858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.591858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.591858 (E_RNA) where: Base-Base interactions energy: -987.280 where: short stacking energy: -465.089 Base-Backbone interact. energy: -2.014 local terms energy: -474.298294 where: bonds (distance) C4'-P energy: -90.041 bonds (distance) P-C4' energy: -88.763 flat angles C4'-P-C4' energy: -95.827 flat angles P-C4'-P energy: -66.995 tors. eta vs tors. theta energy: -132.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1346.827179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.827179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.827179 (E_RNA) where: Base-Base interactions energy: -877.681 where: short stacking energy: -402.916 Base-Backbone interact. energy: -0.246 local terms energy: -468.900345 where: bonds (distance) C4'-P energy: -98.272 bonds (distance) P-C4' energy: -90.177 flat angles C4'-P-C4' energy: -107.818 flat angles P-C4'-P energy: -70.839 tors. eta vs tors. theta energy: -101.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1321.173526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.173526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.173526 (E_RNA) where: Base-Base interactions energy: -892.971 where: short stacking energy: -409.704 Base-Backbone interact. energy: -2.237 local terms energy: -425.965312 where: bonds (distance) C4'-P energy: -76.763 bonds (distance) P-C4' energy: -65.049 flat angles C4'-P-C4' energy: -102.260 flat angles P-C4'-P energy: -61.767 tors. eta vs tors. theta energy: -120.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1217.647698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.647698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.647698 (E_RNA) where: Base-Base interactions energy: -790.523 where: short stacking energy: -391.179 Base-Backbone interact. energy: -1.536 local terms energy: -425.588293 where: bonds (distance) C4'-P energy: -90.555 bonds (distance) P-C4' energy: -85.494 flat angles C4'-P-C4' energy: -81.117 flat angles P-C4'-P energy: -63.689 tors. eta vs tors. theta energy: -104.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -1105.863070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.863070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.863070 (E_RNA) where: Base-Base interactions energy: -688.691 where: short stacking energy: -338.072 Base-Backbone interact. energy: 0.116 local terms energy: -417.287790 where: bonds (distance) C4'-P energy: -85.957 bonds (distance) P-C4' energy: -70.101 flat angles C4'-P-C4' energy: -95.399 flat angles P-C4'-P energy: -62.179 tors. eta vs tors. theta energy: -103.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -867.869473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.869473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.869473 (E_RNA) where: Base-Base interactions energy: -525.676 where: short stacking energy: -255.006 Base-Backbone interact. energy: -1.403 local terms energy: -340.790224 where: bonds (distance) C4'-P energy: -89.498 bonds (distance) P-C4' energy: -87.130 flat angles C4'-P-C4' energy: -86.278 flat angles P-C4'-P energy: -34.860 tors. eta vs tors. theta energy: -43.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -653.748515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.748515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.748515 (E_RNA) where: Base-Base interactions energy: -334.327 where: short stacking energy: -187.431 Base-Backbone interact. energy: -0.774 local terms energy: -318.647896 where: bonds (distance) C4'-P energy: -72.369 bonds (distance) P-C4' energy: -78.912 flat angles C4'-P-C4' energy: -92.944 flat angles P-C4'-P energy: -51.506 tors. eta vs tors. theta energy: -22.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -527.800577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.800577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.800577 (E_RNA) where: Base-Base interactions energy: -243.675 where: short stacking energy: -162.888 Base-Backbone interact. energy: 0.293 local terms energy: -284.418770 where: bonds (distance) C4'-P energy: -69.404 bonds (distance) P-C4' energy: -86.322 flat angles C4'-P-C4' energy: -77.936 flat angles P-C4'-P energy: -38.305 tors. eta vs tors. theta energy: -12.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -469.447253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.447253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.447253 (E_RNA) where: Base-Base interactions energy: -213.056 where: short stacking energy: -131.812 Base-Backbone interact. energy: -0.960 local terms energy: -255.430929 where: bonds (distance) C4'-P energy: -76.030 bonds (distance) P-C4' energy: -70.320 flat angles C4'-P-C4' energy: -61.333 flat angles P-C4'-P energy: -46.729 tors. eta vs tors. theta energy: -1.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1528.243345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.243345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.243345 (E_RNA) where: Base-Base interactions energy: -1020.752 where: short stacking energy: -474.957 Base-Backbone interact. energy: -1.975 local terms energy: -505.516096 where: bonds (distance) C4'-P energy: -94.883 bonds (distance) P-C4' energy: -100.556 flat angles C4'-P-C4' energy: -109.115 flat angles P-C4'-P energy: -62.261 tors. eta vs tors. theta energy: -138.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1458.715120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.715120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.715120 (E_RNA) where: Base-Base interactions energy: -1003.472 where: short stacking energy: -452.859 Base-Backbone interact. energy: -2.167 local terms energy: -453.076377 where: bonds (distance) C4'-P energy: -81.796 bonds (distance) P-C4' energy: -85.161 flat angles C4'-P-C4' energy: -102.546 flat angles P-C4'-P energy: -60.356 tors. eta vs tors. theta energy: -123.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1359.896324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.896324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.896324 (E_RNA) where: Base-Base interactions energy: -899.620 where: short stacking energy: -411.390 Base-Backbone interact. energy: -3.504 local terms energy: -456.772265 where: bonds (distance) C4'-P energy: -98.388 bonds (distance) P-C4' energy: -90.024 flat angles C4'-P-C4' energy: -102.001 flat angles P-C4'-P energy: -53.633 tors. eta vs tors. theta energy: -112.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1327.171474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.171474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.171474 (E_RNA) where: Base-Base interactions energy: -874.764 where: short stacking energy: -393.965 Base-Backbone interact. energy: -0.641 local terms energy: -451.766602 where: bonds (distance) C4'-P energy: -86.196 bonds (distance) P-C4' energy: -78.628 flat angles C4'-P-C4' energy: -98.880 flat angles P-C4'-P energy: -75.238 tors. eta vs tors. theta energy: -112.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1189.079823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.079823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.079823 (E_RNA) where: Base-Base interactions energy: -770.165 where: short stacking energy: -362.699 Base-Backbone interact. energy: 3.272 local terms energy: -422.186543 where: bonds (distance) C4'-P energy: -89.060 bonds (distance) P-C4' energy: -85.490 flat angles C4'-P-C4' energy: -91.575 flat angles P-C4'-P energy: -58.110 tors. eta vs tors. theta energy: -97.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1082.627247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.627247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.627247 (E_RNA) where: Base-Base interactions energy: -685.214 where: short stacking energy: -319.884 Base-Backbone interact. energy: 0.074 local terms energy: -397.487235 where: bonds (distance) C4'-P energy: -63.902 bonds (distance) P-C4' energy: -88.954 flat angles C4'-P-C4' energy: -90.027 flat angles P-C4'-P energy: -65.449 tors. eta vs tors. theta energy: -89.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -865.319478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.319478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.319478 (E_RNA) where: Base-Base interactions energy: -520.155 where: short stacking energy: -274.762 Base-Backbone interact. energy: 5.313 local terms energy: -350.477330 where: bonds (distance) C4'-P energy: -66.919 bonds (distance) P-C4' energy: -92.929 flat angles C4'-P-C4' energy: -84.308 flat angles P-C4'-P energy: -40.240 tors. eta vs tors. theta energy: -66.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -649.454511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.454511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.454511 (E_RNA) where: Base-Base interactions energy: -358.374 where: short stacking energy: -198.825 Base-Backbone interact. energy: -1.227 local terms energy: -289.853794 where: bonds (distance) C4'-P energy: -77.950 bonds (distance) P-C4' energy: -78.800 flat angles C4'-P-C4' energy: -82.248 flat angles P-C4'-P energy: -42.278 tors. eta vs tors. theta energy: -8.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -489.043635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.043635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.043635 (E_RNA) where: Base-Base interactions energy: -196.909 where: short stacking energy: -128.228 Base-Backbone interact. energy: 0.575 local terms energy: -292.709725 where: bonds (distance) C4'-P energy: -78.669 bonds (distance) P-C4' energy: -85.764 flat angles C4'-P-C4' energy: -83.164 flat angles P-C4'-P energy: -45.988 tors. eta vs tors. theta energy: 0.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -498.164532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.164532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.164532 (E_RNA) where: Base-Base interactions energy: -232.279 where: short stacking energy: -126.929 Base-Backbone interact. energy: 1.265 local terms energy: -267.150809 where: bonds (distance) C4'-P energy: -77.876 bonds (distance) P-C4' energy: -91.566 flat angles C4'-P-C4' energy: -65.402 flat angles P-C4'-P energy: -30.376 tors. eta vs tors. theta energy: -1.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1529.561803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.561803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.561803 (E_RNA) where: Base-Base interactions energy: -1024.891 where: short stacking energy: -473.162 Base-Backbone interact. energy: -3.693 local terms energy: -500.977682 where: bonds (distance) C4'-P energy: -84.243 bonds (distance) P-C4' energy: -101.239 flat angles C4'-P-C4' energy: -109.910 flat angles P-C4'-P energy: -72.679 tors. eta vs tors. theta energy: -132.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1461.059780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.059780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.059780 (E_RNA) where: Base-Base interactions energy: -998.553 where: short stacking energy: -465.665 Base-Backbone interact. energy: 2.171 local terms energy: -464.677459 where: bonds (distance) C4'-P energy: -87.251 bonds (distance) P-C4' energy: -89.726 flat angles C4'-P-C4' energy: -99.899 flat angles P-C4'-P energy: -58.978 tors. eta vs tors. theta energy: -128.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -1353.263226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.263226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.263226 (E_RNA) where: Base-Base interactions energy: -920.747 where: short stacking energy: -405.888 Base-Backbone interact. energy: -2.868 local terms energy: -429.648775 where: bonds (distance) C4'-P energy: -86.497 bonds (distance) P-C4' energy: -87.738 flat angles C4'-P-C4' energy: -92.372 flat angles P-C4'-P energy: -56.572 tors. eta vs tors. theta energy: -106.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1332.218961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.218961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.218961 (E_RNA) where: Base-Base interactions energy: -867.830 where: short stacking energy: -428.624 Base-Backbone interact. energy: -1.355 local terms energy: -463.033536 where: bonds (distance) C4'-P energy: -92.330 bonds (distance) P-C4' energy: -89.616 flat angles C4'-P-C4' energy: -101.344 flat angles P-C4'-P energy: -63.899 tors. eta vs tors. theta energy: -115.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1102.455105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.455105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.455105 (E_RNA) where: Base-Base interactions energy: -681.308 where: short stacking energy: -323.120 Base-Backbone interact. energy: -1.721 local terms energy: -419.425864 where: bonds (distance) C4'-P energy: -75.400 bonds (distance) P-C4' energy: -88.744 flat angles C4'-P-C4' energy: -104.878 flat angles P-C4'-P energy: -62.859 tors. eta vs tors. theta energy: -87.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1074.398685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.398685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.398685 (E_RNA) where: Base-Base interactions energy: -683.044 where: short stacking energy: -305.052 Base-Backbone interact. energy: -1.111 local terms energy: -390.244139 where: bonds (distance) C4'-P energy: -68.565 bonds (distance) P-C4' energy: -92.756 flat angles C4'-P-C4' energy: -84.805 flat angles P-C4'-P energy: -55.689 tors. eta vs tors. theta energy: -88.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -882.679984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.679984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.679984 (E_RNA) where: Base-Base interactions energy: -550.545 where: short stacking energy: -257.076 Base-Backbone interact. energy: 1.762 local terms energy: -333.897096 where: bonds (distance) C4'-P energy: -85.792 bonds (distance) P-C4' energy: -74.566 flat angles C4'-P-C4' energy: -79.193 flat angles P-C4'-P energy: -52.949 tors. eta vs tors. theta energy: -41.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -726.772978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.772978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.772978 (E_RNA) where: Base-Base interactions energy: -428.976 where: short stacking energy: -223.414 Base-Backbone interact. energy: 0.092 local terms energy: -297.888655 where: bonds (distance) C4'-P energy: -63.218 bonds (distance) P-C4' energy: -75.163 flat angles C4'-P-C4' energy: -77.828 flat angles P-C4'-P energy: -53.452 tors. eta vs tors. theta energy: -28.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -506.455198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.455198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.455198 (E_RNA) where: Base-Base interactions energy: -231.933 where: short stacking energy: -139.419 Base-Backbone interact. energy: -2.844 local terms energy: -271.678024 where: bonds (distance) C4'-P energy: -74.301 bonds (distance) P-C4' energy: -85.089 flat angles C4'-P-C4' energy: -64.711 flat angles P-C4'-P energy: -37.090 tors. eta vs tors. theta energy: -10.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -456.743098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.743098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.743098 (E_RNA) where: Base-Base interactions energy: -220.581 where: short stacking energy: -130.659 Base-Backbone interact. energy: 4.547 local terms energy: -240.709089 where: bonds (distance) C4'-P energy: -64.054 bonds (distance) P-C4' energy: -89.964 flat angles C4'-P-C4' energy: -60.335 flat angles P-C4'-P energy: -36.671 tors. eta vs tors. theta energy: 10.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1522.775460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.775460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.775460 (E_RNA) where: Base-Base interactions energy: -1032.722 where: short stacking energy: -448.469 Base-Backbone interact. energy: -4.915 local terms energy: -485.138000 where: bonds (distance) C4'-P energy: -84.146 bonds (distance) P-C4' energy: -95.556 flat angles C4'-P-C4' energy: -104.282 flat angles P-C4'-P energy: -73.717 tors. eta vs tors. theta energy: -127.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1461.041697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.041697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.041697 (E_RNA) where: Base-Base interactions energy: -973.868 where: short stacking energy: -452.505 Base-Backbone interact. energy: -5.497 local terms energy: -481.677141 where: bonds (distance) C4'-P energy: -101.494 bonds (distance) P-C4' energy: -86.368 flat angles C4'-P-C4' energy: -101.659 flat angles P-C4'-P energy: -62.880 tors. eta vs tors. theta energy: -129.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1395.085534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.085534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.085534 (E_RNA) where: Base-Base interactions energy: -957.512 where: short stacking energy: -421.307 Base-Backbone interact. energy: -2.408 local terms energy: -435.165033 where: bonds (distance) C4'-P energy: -89.037 bonds (distance) P-C4' energy: -86.667 flat angles C4'-P-C4' energy: -90.899 flat angles P-C4'-P energy: -67.887 tors. eta vs tors. theta energy: -100.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1302.567165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.567165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.567165 (E_RNA) where: Base-Base interactions energy: -848.896 where: short stacking energy: -401.675 Base-Backbone interact. energy: -1.511 local terms energy: -452.160092 where: bonds (distance) C4'-P energy: -92.955 bonds (distance) P-C4' energy: -84.171 flat angles C4'-P-C4' energy: -100.385 flat angles P-C4'-P energy: -61.539 tors. eta vs tors. theta energy: -113.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1108.104347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.104347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.104347 (E_RNA) where: Base-Base interactions energy: -708.817 where: short stacking energy: -318.480 Base-Backbone interact. energy: -0.298 local terms energy: -398.989129 where: bonds (distance) C4'-P energy: -80.616 bonds (distance) P-C4' energy: -95.434 flat angles C4'-P-C4' energy: -95.807 flat angles P-C4'-P energy: -50.994 tors. eta vs tors. theta energy: -76.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1029.880213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.880213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.880213 (E_RNA) where: Base-Base interactions energy: -653.873 where: short stacking energy: -318.371 Base-Backbone interact. energy: -1.253 local terms energy: -374.754762 where: bonds (distance) C4'-P energy: -78.554 bonds (distance) P-C4' energy: -82.363 flat angles C4'-P-C4' energy: -85.050 flat angles P-C4'-P energy: -58.177 tors. eta vs tors. theta energy: -70.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -846.311221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.311221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.311221 (E_RNA) where: Base-Base interactions energy: -512.302 where: short stacking energy: -259.794 Base-Backbone interact. energy: -1.097 local terms energy: -332.912700 where: bonds (distance) C4'-P energy: -74.446 bonds (distance) P-C4' energy: -74.029 flat angles C4'-P-C4' energy: -70.026 flat angles P-C4'-P energy: -54.838 tors. eta vs tors. theta energy: -59.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -687.836798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.836798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.836798 (E_RNA) where: Base-Base interactions energy: -362.559 where: short stacking energy: -202.837 Base-Backbone interact. energy: -0.217 local terms energy: -325.060936 where: bonds (distance) C4'-P energy: -82.634 bonds (distance) P-C4' energy: -86.581 flat angles C4'-P-C4' energy: -66.321 flat angles P-C4'-P energy: -50.338 tors. eta vs tors. theta energy: -39.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -536.830474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.830474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.830474 (E_RNA) where: Base-Base interactions energy: -231.206 where: short stacking energy: -150.341 Base-Backbone interact. energy: 2.063 local terms energy: -307.687889 where: bonds (distance) C4'-P energy: -77.677 bonds (distance) P-C4' energy: -82.468 flat angles C4'-P-C4' energy: -73.101 flat angles P-C4'-P energy: -59.886 tors. eta vs tors. theta energy: -14.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -510.297048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.297048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.297048 (E_RNA) where: Base-Base interactions energy: -216.407 where: short stacking energy: -139.242 Base-Backbone interact. energy: -1.672 local terms energy: -292.217810 where: bonds (distance) C4'-P energy: -81.491 bonds (distance) P-C4' energy: -85.416 flat angles C4'-P-C4' energy: -78.036 flat angles P-C4'-P energy: -51.995 tors. eta vs tors. theta energy: 4.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1542.091734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.091734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.091734 (E_RNA) where: Base-Base interactions energy: -1048.713 where: short stacking energy: -466.796 Base-Backbone interact. energy: -3.745 local terms energy: -489.633379 where: bonds (distance) C4'-P energy: -86.900 bonds (distance) P-C4' energy: -96.711 flat angles C4'-P-C4' energy: -108.596 flat angles P-C4'-P energy: -64.487 tors. eta vs tors. theta energy: -132.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1434.886389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.886389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.886389 (E_RNA) where: Base-Base interactions energy: -973.072 where: short stacking energy: -464.185 Base-Backbone interact. energy: -3.104 local terms energy: -458.710793 where: bonds (distance) C4'-P energy: -80.112 bonds (distance) P-C4' energy: -88.857 flat angles C4'-P-C4' energy: -101.891 flat angles P-C4'-P energy: -55.961 tors. eta vs tors. theta energy: -131.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1376.314312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.314312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.314312 (E_RNA) where: Base-Base interactions energy: -932.080 where: short stacking energy: -402.695 Base-Backbone interact. energy: -2.647 local terms energy: -441.586844 where: bonds (distance) C4'-P energy: -87.646 bonds (distance) P-C4' energy: -87.817 flat angles C4'-P-C4' energy: -97.284 flat angles P-C4'-P energy: -60.654 tors. eta vs tors. theta energy: -108.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1310.905348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.905348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.905348 (E_RNA) where: Base-Base interactions energy: -863.025 where: short stacking energy: -380.999 Base-Backbone interact. energy: -2.356 local terms energy: -445.524200 where: bonds (distance) C4'-P energy: -87.032 bonds (distance) P-C4' energy: -95.670 flat angles C4'-P-C4' energy: -93.442 flat angles P-C4'-P energy: -58.551 tors. eta vs tors. theta energy: -110.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1094.939515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.939515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.939515 (E_RNA) where: Base-Base interactions energy: -695.532 where: short stacking energy: -325.063 Base-Backbone interact. energy: -0.124 local terms energy: -399.283606 where: bonds (distance) C4'-P energy: -81.788 bonds (distance) P-C4' energy: -86.849 flat angles C4'-P-C4' energy: -92.680 flat angles P-C4'-P energy: -63.814 tors. eta vs tors. theta energy: -74.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1012.307912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.307912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.307912 (E_RNA) where: Base-Base interactions energy: -635.963 where: short stacking energy: -300.327 Base-Backbone interact. energy: -2.149 local terms energy: -374.195914 where: bonds (distance) C4'-P energy: -79.784 bonds (distance) P-C4' energy: -77.261 flat angles C4'-P-C4' energy: -82.854 flat angles P-C4'-P energy: -63.414 tors. eta vs tors. theta energy: -70.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -910.567306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.567306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.567306 (E_RNA) where: Base-Base interactions energy: -554.572 where: short stacking energy: -295.916 Base-Backbone interact. energy: -1.522 local terms energy: -354.473071 where: bonds (distance) C4'-P energy: -70.924 bonds (distance) P-C4' energy: -86.659 flat angles C4'-P-C4' energy: -84.994 flat angles P-C4'-P energy: -48.045 tors. eta vs tors. theta energy: -63.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -661.377503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.377503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.377503 (E_RNA) where: Base-Base interactions energy: -346.926 where: short stacking energy: -196.801 Base-Backbone interact. energy: -1.794 local terms energy: -312.657795 where: bonds (distance) C4'-P energy: -62.463 bonds (distance) P-C4' energy: -94.311 flat angles C4'-P-C4' energy: -74.504 flat angles P-C4'-P energy: -52.009 tors. eta vs tors. theta energy: -29.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -481.356233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.356233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.356233 (E_RNA) where: Base-Base interactions energy: -204.061 where: short stacking energy: -112.923 Base-Backbone interact. energy: 0.481 local terms energy: -277.775734 where: bonds (distance) C4'-P energy: -69.935 bonds (distance) P-C4' energy: -82.998 flat angles C4'-P-C4' energy: -90.201 flat angles P-C4'-P energy: -41.315 tors. eta vs tors. theta energy: 6.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -433.187617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.187617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.187617 (E_RNA) where: Base-Base interactions energy: -150.258 where: short stacking energy: -95.175 Base-Backbone interact. energy: 3.244 local terms energy: -286.172773 where: bonds (distance) C4'-P energy: -89.142 bonds (distance) P-C4' energy: -76.725 flat angles C4'-P-C4' energy: -66.990 flat angles P-C4'-P energy: -50.984 tors. eta vs tors. theta energy: -2.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1558.979690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.979690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.979690 (E_RNA) where: Base-Base interactions energy: -1073.806 where: short stacking energy: -480.110 Base-Backbone interact. energy: -2.964 local terms energy: -482.209493 where: bonds (distance) C4'-P energy: -85.874 bonds (distance) P-C4' energy: -88.916 flat angles C4'-P-C4' energy: -106.982 flat angles P-C4'-P energy: -62.601 tors. eta vs tors. theta energy: -137.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1473.581282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.581282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.581282 (E_RNA) where: Base-Base interactions energy: -964.022 where: short stacking energy: -446.442 Base-Backbone interact. energy: -2.336 local terms energy: -507.223460 where: bonds (distance) C4'-P energy: -102.110 bonds (distance) P-C4' energy: -94.625 flat angles C4'-P-C4' energy: -101.825 flat angles P-C4'-P energy: -70.062 tors. eta vs tors. theta energy: -138.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1384.664454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.664454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.664454 (E_RNA) where: Base-Base interactions energy: -918.069 where: short stacking energy: -406.103 Base-Backbone interact. energy: 0.760 local terms energy: -467.355344 where: bonds (distance) C4'-P energy: -82.942 bonds (distance) P-C4' energy: -89.321 flat angles C4'-P-C4' energy: -111.386 flat angles P-C4'-P energy: -78.397 tors. eta vs tors. theta energy: -105.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1343.909342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.909342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.909342 (E_RNA) where: Base-Base interactions energy: -893.417 where: short stacking energy: -414.219 Base-Backbone interact. energy: -1.828 local terms energy: -448.663834 where: bonds (distance) C4'-P energy: -90.452 bonds (distance) P-C4' energy: -89.675 flat angles C4'-P-C4' energy: -90.255 flat angles P-C4'-P energy: -62.048 tors. eta vs tors. theta energy: -116.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1124.193873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.193873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.193873 (E_RNA) where: Base-Base interactions energy: -724.270 where: short stacking energy: -341.459 Base-Backbone interact. energy: -2.285 local terms energy: -397.638906 where: bonds (distance) C4'-P energy: -84.147 bonds (distance) P-C4' energy: -84.496 flat angles C4'-P-C4' energy: -88.724 flat angles P-C4'-P energy: -47.411 tors. eta vs tors. theta energy: -92.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1051.997221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.997221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.997221 (E_RNA) where: Base-Base interactions energy: -673.895 where: short stacking energy: -317.484 Base-Backbone interact. energy: -1.390 local terms energy: -376.712453 where: bonds (distance) C4'-P energy: -84.480 bonds (distance) P-C4' energy: -84.615 flat angles C4'-P-C4' energy: -85.866 flat angles P-C4'-P energy: -48.130 tors. eta vs tors. theta energy: -73.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1016.667200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.667200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.667200 (E_RNA) where: Base-Base interactions energy: -653.498 where: short stacking energy: -317.658 Base-Backbone interact. energy: -0.981 local terms energy: -362.188438 where: bonds (distance) C4'-P energy: -66.243 bonds (distance) P-C4' energy: -87.008 flat angles C4'-P-C4' energy: -92.618 flat angles P-C4'-P energy: -43.092 tors. eta vs tors. theta energy: -73.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -678.569557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.569557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.569557 (E_RNA) where: Base-Base interactions energy: -396.180 where: short stacking energy: -191.835 Base-Backbone interact. energy: 0.864 local terms energy: -283.254213 where: bonds (distance) C4'-P energy: -80.066 bonds (distance) P-C4' energy: -77.190 flat angles C4'-P-C4' energy: -70.553 flat angles P-C4'-P energy: -35.900 tors. eta vs tors. theta energy: -19.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -483.576184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.576184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.576184 (E_RNA) where: Base-Base interactions energy: -210.184 where: short stacking energy: -153.153 Base-Backbone interact. energy: 1.773 local terms energy: -275.164940 where: bonds (distance) C4'-P energy: -82.692 bonds (distance) P-C4' energy: -72.118 flat angles C4'-P-C4' energy: -63.710 flat angles P-C4'-P energy: -47.896 tors. eta vs tors. theta energy: -8.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -421.235731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.235731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.235731 (E_RNA) where: Base-Base interactions energy: -157.917 where: short stacking energy: -117.099 Base-Backbone interact. energy: -1.129 local terms energy: -262.190027 where: bonds (distance) C4'-P energy: -75.575 bonds (distance) P-C4' energy: -83.536 flat angles C4'-P-C4' energy: -68.137 flat angles P-C4'-P energy: -47.362 tors. eta vs tors. theta energy: 12.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1511.190070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.190070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.190070 (E_RNA) where: Base-Base interactions energy: -1043.596 where: short stacking energy: -445.692 Base-Backbone interact. energy: -2.655 local terms energy: -464.938802 where: bonds (distance) C4'-P energy: -96.224 bonds (distance) P-C4' energy: -86.805 flat angles C4'-P-C4' energy: -97.729 flat angles P-C4'-P energy: -60.516 tors. eta vs tors. theta energy: -123.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1439.358110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.358110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.358110 (E_RNA) where: Base-Base interactions energy: -950.592 where: short stacking energy: -437.837 Base-Backbone interact. energy: -2.252 local terms energy: -486.514340 where: bonds (distance) C4'-P energy: -92.389 bonds (distance) P-C4' energy: -94.053 flat angles C4'-P-C4' energy: -98.014 flat angles P-C4'-P energy: -70.492 tors. eta vs tors. theta energy: -131.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1423.228547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.228547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.228547 (E_RNA) where: Base-Base interactions energy: -964.766 where: short stacking energy: -412.919 Base-Backbone interact. energy: -3.297 local terms energy: -455.164845 where: bonds (distance) C4'-P energy: -92.281 bonds (distance) P-C4' energy: -80.359 flat angles C4'-P-C4' energy: -103.049 flat angles P-C4'-P energy: -68.461 tors. eta vs tors. theta energy: -111.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1341.602578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.602578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.602578 (E_RNA) where: Base-Base interactions energy: -892.098 where: short stacking energy: -406.702 Base-Backbone interact. energy: 2.671 local terms energy: -452.175405 where: bonds (distance) C4'-P energy: -104.794 bonds (distance) P-C4' energy: -76.616 flat angles C4'-P-C4' energy: -94.983 flat angles P-C4'-P energy: -60.653 tors. eta vs tors. theta energy: -115.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1115.715054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.715054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.715054 (E_RNA) where: Base-Base interactions energy: -719.903 where: short stacking energy: -338.193 Base-Backbone interact. energy: 0.676 local terms energy: -396.487919 where: bonds (distance) C4'-P energy: -76.266 bonds (distance) P-C4' energy: -88.509 flat angles C4'-P-C4' energy: -102.187 flat angles P-C4'-P energy: -52.699 tors. eta vs tors. theta energy: -76.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1095.628370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.628370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.628370 (E_RNA) where: Base-Base interactions energy: -687.422 where: short stacking energy: -329.355 Base-Backbone interact. energy: 1.887 local terms energy: -410.092780 where: bonds (distance) C4'-P energy: -72.002 bonds (distance) P-C4' energy: -92.626 flat angles C4'-P-C4' energy: -105.191 flat angles P-C4'-P energy: -63.374 tors. eta vs tors. theta energy: -76.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1001.332621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.332621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.332621 (E_RNA) where: Base-Base interactions energy: -635.618 where: short stacking energy: -315.919 Base-Backbone interact. energy: -0.478 local terms energy: -365.237053 where: bonds (distance) C4'-P energy: -64.819 bonds (distance) P-C4' energy: -94.374 flat angles C4'-P-C4' energy: -93.061 flat angles P-C4'-P energy: -40.701 tors. eta vs tors. theta energy: -72.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -747.804177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.804177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.804177 (E_RNA) where: Base-Base interactions energy: -440.916 where: short stacking energy: -218.468 Base-Backbone interact. energy: 0.207 local terms energy: -307.095345 where: bonds (distance) C4'-P energy: -88.355 bonds (distance) P-C4' energy: -76.590 flat angles C4'-P-C4' energy: -59.759 flat angles P-C4'-P energy: -40.255 tors. eta vs tors. theta energy: -42.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -502.251232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.251232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.251232 (E_RNA) where: Base-Base interactions energy: -227.437 where: short stacking energy: -155.946 Base-Backbone interact. energy: -2.354 local terms energy: -272.459827 where: bonds (distance) C4'-P energy: -68.908 bonds (distance) P-C4' energy: -70.431 flat angles C4'-P-C4' energy: -79.772 flat angles P-C4'-P energy: -45.924 tors. eta vs tors. theta energy: -7.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -410.871981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.871981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.871981 (E_RNA) where: Base-Base interactions energy: -169.499 where: short stacking energy: -129.189 Base-Backbone interact. energy: 0.629 local terms energy: -242.002210 where: bonds (distance) C4'-P energy: -60.887 bonds (distance) P-C4' energy: -87.868 flat angles C4'-P-C4' energy: -68.186 flat angles P-C4'-P energy: -37.357 tors. eta vs tors. theta energy: 12.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1530.034812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.034812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.034812 (E_RNA) where: Base-Base interactions energy: -1032.249 where: short stacking energy: -447.200 Base-Backbone interact. energy: -2.890 local terms energy: -494.895970 where: bonds (distance) C4'-P energy: -93.868 bonds (distance) P-C4' energy: -98.157 flat angles C4'-P-C4' energy: -109.367 flat angles P-C4'-P energy: -66.255 tors. eta vs tors. theta energy: -127.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1441.810614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.810614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.810614 (E_RNA) where: Base-Base interactions energy: -987.621 where: short stacking energy: -447.532 Base-Backbone interact. energy: -1.282 local terms energy: -452.907553 where: bonds (distance) C4'-P energy: -85.647 bonds (distance) P-C4' energy: -82.537 flat angles C4'-P-C4' energy: -96.856 flat angles P-C4'-P energy: -57.044 tors. eta vs tors. theta energy: -130.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1376.026647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.026647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.026647 (E_RNA) where: Base-Base interactions energy: -923.322 where: short stacking energy: -396.448 Base-Backbone interact. energy: -2.077 local terms energy: -450.627788 where: bonds (distance) C4'-P energy: -88.460 bonds (distance) P-C4' energy: -83.259 flat angles C4'-P-C4' energy: -98.175 flat angles P-C4'-P energy: -72.207 tors. eta vs tors. theta energy: -108.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1379.719072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.719072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.719072 (E_RNA) where: Base-Base interactions energy: -927.855 where: short stacking energy: -423.314 Base-Backbone interact. energy: -1.075 local terms energy: -450.788901 where: bonds (distance) C4'-P energy: -88.648 bonds (distance) P-C4' energy: -84.778 flat angles C4'-P-C4' energy: -90.376 flat angles P-C4'-P energy: -66.990 tors. eta vs tors. theta energy: -119.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1085.491331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.491331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.491331 (E_RNA) where: Base-Base interactions energy: -677.953 where: short stacking energy: -312.016 Base-Backbone interact. energy: 0.138 local terms energy: -407.676341 where: bonds (distance) C4'-P energy: -87.390 bonds (distance) P-C4' energy: -92.054 flat angles C4'-P-C4' energy: -75.892 flat angles P-C4'-P energy: -64.839 tors. eta vs tors. theta energy: -87.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1082.612117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.612117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.612117 (E_RNA) where: Base-Base interactions energy: -680.103 where: short stacking energy: -324.529 Base-Backbone interact. energy: 1.578 local terms energy: -404.086933 where: bonds (distance) C4'-P energy: -81.213 bonds (distance) P-C4' energy: -92.531 flat angles C4'-P-C4' energy: -90.306 flat angles P-C4'-P energy: -58.799 tors. eta vs tors. theta energy: -81.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -952.227395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.227395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.227395 (E_RNA) where: Base-Base interactions energy: -589.900 where: short stacking energy: -293.871 Base-Backbone interact. energy: -1.279 local terms energy: -361.048258 where: bonds (distance) C4'-P energy: -71.584 bonds (distance) P-C4' energy: -88.276 flat angles C4'-P-C4' energy: -94.655 flat angles P-C4'-P energy: -47.371 tors. eta vs tors. theta energy: -59.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -655.153657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.153657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.153657 (E_RNA) where: Base-Base interactions energy: -360.789 where: short stacking energy: -197.519 Base-Backbone interact. energy: -1.007 local terms energy: -293.357445 where: bonds (distance) C4'-P energy: -72.431 bonds (distance) P-C4' energy: -79.415 flat angles C4'-P-C4' energy: -73.256 flat angles P-C4'-P energy: -51.970 tors. eta vs tors. theta energy: -16.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -484.882148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.882148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.882148 (E_RNA) where: Base-Base interactions energy: -220.327 where: short stacking energy: -135.077 Base-Backbone interact. energy: -0.341 local terms energy: -264.214275 where: bonds (distance) C4'-P energy: -73.311 bonds (distance) P-C4' energy: -73.594 flat angles C4'-P-C4' energy: -81.951 flat angles P-C4'-P energy: -43.163 tors. eta vs tors. theta energy: 7.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -466.667005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.667005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.667005 (E_RNA) where: Base-Base interactions energy: -212.938 where: short stacking energy: -139.708 Base-Backbone interact. energy: -1.402 local terms energy: -252.327766 where: bonds (distance) C4'-P energy: -75.130 bonds (distance) P-C4' energy: -62.188 flat angles C4'-P-C4' energy: -70.546 flat angles P-C4'-P energy: -50.512 tors. eta vs tors. theta energy: 6.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1540.219899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.219899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.219899 (E_RNA) where: Base-Base interactions energy: -1049.295 where: short stacking energy: -454.300 Base-Backbone interact. energy: -2.540 local terms energy: -488.384549 where: bonds (distance) C4'-P energy: -100.076 bonds (distance) P-C4' energy: -92.450 flat angles C4'-P-C4' energy: -108.408 flat angles P-C4'-P energy: -57.595 tors. eta vs tors. theta energy: -129.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1397.046746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.046746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.046746 (E_RNA) where: Base-Base interactions energy: -937.868 where: short stacking energy: -434.351 Base-Backbone interact. energy: -1.509 local terms energy: -457.670523 where: bonds (distance) C4'-P energy: -85.042 bonds (distance) P-C4' energy: -89.472 flat angles C4'-P-C4' energy: -93.726 flat angles P-C4'-P energy: -72.295 tors. eta vs tors. theta energy: -117.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1409.487058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.487058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.487058 (E_RNA) where: Base-Base interactions energy: -931.220 where: short stacking energy: -439.884 Base-Backbone interact. energy: -0.075 local terms energy: -478.192445 where: bonds (distance) C4'-P energy: -92.087 bonds (distance) P-C4' energy: -102.840 flat angles C4'-P-C4' energy: -102.343 flat angles P-C4'-P energy: -60.218 tors. eta vs tors. theta energy: -120.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1318.844922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.844922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.844922 (E_RNA) where: Base-Base interactions energy: -885.311 where: short stacking energy: -387.625 Base-Backbone interact. energy: -2.473 local terms energy: -431.061061 where: bonds (distance) C4'-P energy: -84.329 bonds (distance) P-C4' energy: -88.838 flat angles C4'-P-C4' energy: -92.205 flat angles P-C4'-P energy: -62.055 tors. eta vs tors. theta energy: -103.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1122.089440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.089440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.089440 (E_RNA) where: Base-Base interactions energy: -723.718 where: short stacking energy: -336.494 Base-Backbone interact. energy: -2.309 local terms energy: -396.062425 where: bonds (distance) C4'-P energy: -74.343 bonds (distance) P-C4' energy: -92.299 flat angles C4'-P-C4' energy: -88.917 flat angles P-C4'-P energy: -55.248 tors. eta vs tors. theta energy: -85.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1058.400629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.400629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.400629 (E_RNA) where: Base-Base interactions energy: -679.020 where: short stacking energy: -330.296 Base-Backbone interact. energy: -3.002 local terms energy: -376.378170 where: bonds (distance) C4'-P energy: -89.619 bonds (distance) P-C4' energy: -71.526 flat angles C4'-P-C4' energy: -74.182 flat angles P-C4'-P energy: -58.488 tors. eta vs tors. theta energy: -82.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -972.017689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.017689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.017689 (E_RNA) where: Base-Base interactions energy: -620.566 where: short stacking energy: -280.730 Base-Backbone interact. energy: -1.837 local terms energy: -349.614671 where: bonds (distance) C4'-P energy: -78.743 bonds (distance) P-C4' energy: -81.998 flat angles C4'-P-C4' energy: -82.400 flat angles P-C4'-P energy: -52.641 tors. eta vs tors. theta energy: -53.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -747.948434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.948434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.948434 (E_RNA) where: Base-Base interactions energy: -456.434 where: short stacking energy: -207.046 Base-Backbone interact. energy: 1.053 local terms energy: -292.566911 where: bonds (distance) C4'-P energy: -67.130 bonds (distance) P-C4' energy: -81.616 flat angles C4'-P-C4' energy: -85.853 flat angles P-C4'-P energy: -29.867 tors. eta vs tors. theta energy: -28.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -506.616102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.616102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.616102 (E_RNA) where: Base-Base interactions energy: -223.830 where: short stacking energy: -139.195 Base-Backbone interact. energy: -0.122 local terms energy: -282.663549 where: bonds (distance) C4'-P energy: -70.045 bonds (distance) P-C4' energy: -91.144 flat angles C4'-P-C4' energy: -72.928 flat angles P-C4'-P energy: -46.242 tors. eta vs tors. theta energy: -2.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -450.673375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.673375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.673375 (E_RNA) where: Base-Base interactions energy: -192.150 where: short stacking energy: -110.456 Base-Backbone interact. energy: 1.368 local terms energy: -259.891022 where: bonds (distance) C4'-P energy: -74.859 bonds (distance) P-C4' energy: -85.460 flat angles C4'-P-C4' energy: -68.739 flat angles P-C4'-P energy: -51.149 tors. eta vs tors. theta energy: 20.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1533.148405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.148405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.148405 (E_RNA) where: Base-Base interactions energy: -1051.155 where: short stacking energy: -473.133 Base-Backbone interact. energy: -0.861 local terms energy: -481.132408 where: bonds (distance) C4'-P energy: -105.181 bonds (distance) P-C4' energy: -90.884 flat angles C4'-P-C4' energy: -102.562 flat angles P-C4'-P energy: -58.733 tors. eta vs tors. theta energy: -123.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1403.643397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.643397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.643397 (E_RNA) where: Base-Base interactions energy: -956.586 where: short stacking energy: -434.387 Base-Backbone interact. energy: 4.308 local terms energy: -451.366048 where: bonds (distance) C4'-P energy: -89.334 bonds (distance) P-C4' energy: -97.574 flat angles C4'-P-C4' energy: -102.011 flat angles P-C4'-P energy: -53.633 tors. eta vs tors. theta energy: -108.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1408.117478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.117478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.117478 (E_RNA) where: Base-Base interactions energy: -945.976 where: short stacking energy: -423.472 Base-Backbone interact. energy: -0.699 local terms energy: -461.443389 where: bonds (distance) C4'-P energy: -79.544 bonds (distance) P-C4' energy: -92.579 flat angles C4'-P-C4' energy: -103.311 flat angles P-C4'-P energy: -68.412 tors. eta vs tors. theta energy: -117.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1309.213853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.213853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.213853 (E_RNA) where: Base-Base interactions energy: -855.073 where: short stacking energy: -390.674 Base-Backbone interact. energy: -5.043 local terms energy: -449.097868 where: bonds (distance) C4'-P energy: -84.434 bonds (distance) P-C4' energy: -95.500 flat angles C4'-P-C4' energy: -95.571 flat angles P-C4'-P energy: -56.149 tors. eta vs tors. theta energy: -117.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1141.162261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.162261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.162261 (E_RNA) where: Base-Base interactions energy: -703.005 where: short stacking energy: -354.718 Base-Backbone interact. energy: 0.172 local terms energy: -438.329556 where: bonds (distance) C4'-P energy: -82.716 bonds (distance) P-C4' energy: -92.248 flat angles C4'-P-C4' energy: -106.558 flat angles P-C4'-P energy: -57.126 tors. eta vs tors. theta energy: -99.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -995.778325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.778325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.778325 (E_RNA) where: Base-Base interactions energy: -638.596 where: short stacking energy: -289.963 Base-Backbone interact. energy: 1.195 local terms energy: -358.377504 where: bonds (distance) C4'-P energy: -85.088 bonds (distance) P-C4' energy: -69.310 flat angles C4'-P-C4' energy: -89.998 flat angles P-C4'-P energy: -47.857 tors. eta vs tors. theta energy: -66.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1023.531816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.531816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.531816 (E_RNA) where: Base-Base interactions energy: -650.699 where: short stacking energy: -311.816 Base-Backbone interact. energy: -0.942 local terms energy: -371.890158 where: bonds (distance) C4'-P energy: -73.553 bonds (distance) P-C4' energy: -95.001 flat angles C4'-P-C4' energy: -80.297 flat angles P-C4'-P energy: -56.626 tors. eta vs tors. theta energy: -66.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -767.383677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.383677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.383677 (E_RNA) where: Base-Base interactions energy: -444.235 where: short stacking energy: -229.296 Base-Backbone interact. energy: -0.968 local terms energy: -322.179971 where: bonds (distance) C4'-P energy: -74.600 bonds (distance) P-C4' energy: -68.115 flat angles C4'-P-C4' energy: -90.954 flat angles P-C4'-P energy: -52.899 tors. eta vs tors. theta energy: -35.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -470.748473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.748473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.748473 (E_RNA) where: Base-Base interactions energy: -206.868 where: short stacking energy: -143.522 Base-Backbone interact. energy: 2.760 local terms energy: -266.640687 where: bonds (distance) C4'-P energy: -72.707 bonds (distance) P-C4' energy: -74.142 flat angles C4'-P-C4' energy: -75.038 flat angles P-C4'-P energy: -43.656 tors. eta vs tors. theta energy: -1.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -485.017485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.017485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.017485 (E_RNA) where: Base-Base interactions energy: -230.713 where: short stacking energy: -160.840 Base-Backbone interact. energy: -3.172 local terms energy: -251.132707 where: bonds (distance) C4'-P energy: -76.151 bonds (distance) P-C4' energy: -66.944 flat angles C4'-P-C4' energy: -64.603 flat angles P-C4'-P energy: -27.202 tors. eta vs tors. theta energy: -16.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1571.896102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.896102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.896102 (E_RNA) where: Base-Base interactions energy: -1071.286 where: short stacking energy: -459.387 Base-Backbone interact. energy: -3.908 local terms energy: -496.702381 where: bonds (distance) C4'-P energy: -83.985 bonds (distance) P-C4' energy: -97.779 flat angles C4'-P-C4' energy: -113.671 flat angles P-C4'-P energy: -72.532 tors. eta vs tors. theta energy: -128.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1436.410107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.410107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.410107 (E_RNA) where: Base-Base interactions energy: -961.205 where: short stacking energy: -446.846 Base-Backbone interact. energy: 3.808 local terms energy: -479.013001 where: bonds (distance) C4'-P energy: -82.629 bonds (distance) P-C4' energy: -96.944 flat angles C4'-P-C4' energy: -115.451 flat angles P-C4'-P energy: -59.958 tors. eta vs tors. theta energy: -124.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1424.614733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.614733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.614733 (E_RNA) where: Base-Base interactions energy: -973.037 where: short stacking energy: -437.937 Base-Backbone interact. energy: -2.210 local terms energy: -449.367676 where: bonds (distance) C4'-P energy: -76.482 bonds (distance) P-C4' energy: -82.688 flat angles C4'-P-C4' energy: -99.603 flat angles P-C4'-P energy: -67.625 tors. eta vs tors. theta energy: -122.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1279.152481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.152481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.152481 (E_RNA) where: Base-Base interactions energy: -855.680 where: short stacking energy: -390.011 Base-Backbone interact. energy: -1.068 local terms energy: -422.404192 where: bonds (distance) C4'-P energy: -87.876 bonds (distance) P-C4' energy: -90.150 flat angles C4'-P-C4' energy: -93.560 flat angles P-C4'-P energy: -62.026 tors. eta vs tors. theta energy: -88.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1141.462133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.462133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.462133 (E_RNA) where: Base-Base interactions energy: -753.409 where: short stacking energy: -346.761 Base-Backbone interact. energy: -1.639 local terms energy: -386.413898 where: bonds (distance) C4'-P energy: -73.940 bonds (distance) P-C4' energy: -78.753 flat angles C4'-P-C4' energy: -96.524 flat angles P-C4'-P energy: -58.941 tors. eta vs tors. theta energy: -78.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -982.544145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.544145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.544145 (E_RNA) where: Base-Base interactions energy: -602.657 where: short stacking energy: -287.132 Base-Backbone interact. energy: 0.045 local terms energy: -379.931413 where: bonds (distance) C4'-P energy: -88.952 bonds (distance) P-C4' energy: -88.445 flat angles C4'-P-C4' energy: -99.393 flat angles P-C4'-P energy: -47.816 tors. eta vs tors. theta energy: -55.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1020.484395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.484395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.484395 (E_RNA) where: Base-Base interactions energy: -640.001 where: short stacking energy: -319.316 Base-Backbone interact. energy: 0.389 local terms energy: -380.872884 where: bonds (distance) C4'-P energy: -84.644 bonds (distance) P-C4' energy: -92.274 flat angles C4'-P-C4' energy: -79.403 flat angles P-C4'-P energy: -50.500 tors. eta vs tors. theta energy: -74.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -745.921848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.921848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.921848 (E_RNA) where: Base-Base interactions energy: -436.971 where: short stacking energy: -240.825 Base-Backbone interact. energy: 0.059 local terms energy: -309.009808 where: bonds (distance) C4'-P energy: -71.730 bonds (distance) P-C4' energy: -72.548 flat angles C4'-P-C4' energy: -82.512 flat angles P-C4'-P energy: -46.454 tors. eta vs tors. theta energy: -35.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -493.960423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.960423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.960423 (E_RNA) where: Base-Base interactions energy: -223.097 where: short stacking energy: -160.537 Base-Backbone interact. energy: 4.621 local terms energy: -275.484531 where: bonds (distance) C4'-P energy: -83.818 bonds (distance) P-C4' energy: -77.890 flat angles C4'-P-C4' energy: -69.771 flat angles P-C4'-P energy: -35.306 tors. eta vs tors. theta energy: -8.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -389.806090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.806090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.806090 (E_RNA) where: Base-Base interactions energy: -152.830 where: short stacking energy: -109.633 Base-Backbone interact. energy: 1.783 local terms energy: -238.758913 where: bonds (distance) C4'-P energy: -85.291 bonds (distance) P-C4' energy: -83.478 flat angles C4'-P-C4' energy: -60.879 flat angles P-C4'-P energy: -30.197 tors. eta vs tors. theta energy: 21.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1557.087828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.087828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.087828 (E_RNA) where: Base-Base interactions energy: -1074.260 where: short stacking energy: -468.629 Base-Backbone interact. energy: -3.370 local terms energy: -479.457032 where: bonds (distance) C4'-P energy: -89.542 bonds (distance) P-C4' energy: -95.784 flat angles C4'-P-C4' energy: -101.411 flat angles P-C4'-P energy: -70.757 tors. eta vs tors. theta energy: -121.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1457.579320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.579320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.579320 (E_RNA) where: Base-Base interactions energy: -976.889 where: short stacking energy: -458.664 Base-Backbone interact. energy: 7.000 local terms energy: -487.689842 where: bonds (distance) C4'-P energy: -87.154 bonds (distance) P-C4' energy: -91.781 flat angles C4'-P-C4' energy: -112.358 flat angles P-C4'-P energy: -63.001 tors. eta vs tors. theta energy: -133.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1408.375134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.375134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.375134 (E_RNA) where: Base-Base interactions energy: -937.233 where: short stacking energy: -433.201 Base-Backbone interact. energy: -0.316 local terms energy: -470.825454 where: bonds (distance) C4'-P energy: -93.497 bonds (distance) P-C4' energy: -78.997 flat angles C4'-P-C4' energy: -102.732 flat angles P-C4'-P energy: -66.193 tors. eta vs tors. theta energy: -129.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1324.068956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.068956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.068956 (E_RNA) where: Base-Base interactions energy: -871.760 where: short stacking energy: -407.915 Base-Backbone interact. energy: 0.105 local terms energy: -452.413760 where: bonds (distance) C4'-P energy: -93.463 bonds (distance) P-C4' energy: -102.494 flat angles C4'-P-C4' energy: -100.017 flat angles P-C4'-P energy: -55.760 tors. eta vs tors. theta energy: -100.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -1189.506112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.506112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.506112 (E_RNA) where: Base-Base interactions energy: -780.371 where: short stacking energy: -348.666 Base-Backbone interact. energy: -2.093 local terms energy: -407.042124 where: bonds (distance) C4'-P energy: -77.574 bonds (distance) P-C4' energy: -89.127 flat angles C4'-P-C4' energy: -96.045 flat angles P-C4'-P energy: -54.336 tors. eta vs tors. theta energy: -89.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1134.719314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.719314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.719314 (E_RNA) where: Base-Base interactions energy: -747.258 where: short stacking energy: -352.177 Base-Backbone interact. energy: -0.008 local terms energy: -387.452564 where: bonds (distance) C4'-P energy: -65.597 bonds (distance) P-C4' energy: -80.953 flat angles C4'-P-C4' energy: -89.056 flat angles P-C4'-P energy: -65.446 tors. eta vs tors. theta energy: -86.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1003.154660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.154660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.154660 (E_RNA) where: Base-Base interactions energy: -613.532 where: short stacking energy: -319.357 Base-Backbone interact. energy: -0.322 local terms energy: -389.301077 where: bonds (distance) C4'-P energy: -85.508 bonds (distance) P-C4' energy: -82.769 flat angles C4'-P-C4' energy: -92.157 flat angles P-C4'-P energy: -54.864 tors. eta vs tors. theta energy: -74.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -693.771045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.771045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.771045 (E_RNA) where: Base-Base interactions energy: -394.303 where: short stacking energy: -193.862 Base-Backbone interact. energy: -2.354 local terms energy: -297.113830 where: bonds (distance) C4'-P energy: -68.211 bonds (distance) P-C4' energy: -78.953 flat angles C4'-P-C4' energy: -75.989 flat angles P-C4'-P energy: -53.695 tors. eta vs tors. theta energy: -20.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -490.572556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.572556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.572556 (E_RNA) where: Base-Base interactions energy: -241.481 where: short stacking energy: -144.850 Base-Backbone interact. energy: 1.208 local terms energy: -250.300083 where: bonds (distance) C4'-P energy: -69.880 bonds (distance) P-C4' energy: -82.363 flat angles C4'-P-C4' energy: -45.598 flat angles P-C4'-P energy: -39.400 tors. eta vs tors. theta energy: -13.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -373.406562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.406562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.406562 (E_RNA) where: Base-Base interactions energy: -139.387 where: short stacking energy: -109.930 Base-Backbone interact. energy: 0.044 local terms energy: -234.064177 where: bonds (distance) C4'-P energy: -65.840 bonds (distance) P-C4' energy: -59.084 flat angles C4'-P-C4' energy: -71.806 flat angles P-C4'-P energy: -47.301 tors. eta vs tors. theta energy: 9.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1568.606779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.606779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.606779 (E_RNA) where: Base-Base interactions energy: -1051.671 where: short stacking energy: -459.860 Base-Backbone interact. energy: -7.039 local terms energy: -509.896216 where: bonds (distance) C4'-P energy: -92.191 bonds (distance) P-C4' energy: -103.343 flat angles C4'-P-C4' energy: -105.069 flat angles P-C4'-P energy: -68.061 tors. eta vs tors. theta energy: -141.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1435.418330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.418330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.418330 (E_RNA) where: Base-Base interactions energy: -940.080 where: short stacking energy: -451.042 Base-Backbone interact. energy: -2.804 local terms energy: -492.534386 where: bonds (distance) C4'-P energy: -98.515 bonds (distance) P-C4' energy: -86.178 flat angles C4'-P-C4' energy: -101.743 flat angles P-C4'-P energy: -74.564 tors. eta vs tors. theta energy: -131.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1363.784194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.784194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.784194 (E_RNA) where: Base-Base interactions energy: -912.470 where: short stacking energy: -409.670 Base-Backbone interact. energy: -2.509 local terms energy: -448.805051 where: bonds (distance) C4'-P energy: -84.449 bonds (distance) P-C4' energy: -78.473 flat angles C4'-P-C4' energy: -106.195 flat angles P-C4'-P energy: -62.780 tors. eta vs tors. theta energy: -116.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1352.422105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.422105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.422105 (E_RNA) where: Base-Base interactions energy: -933.042 where: short stacking energy: -420.252 Base-Backbone interact. energy: 5.304 local terms energy: -424.683928 where: bonds (distance) C4'-P energy: -82.964 bonds (distance) P-C4' energy: -91.803 flat angles C4'-P-C4' energy: -90.561 flat angles P-C4'-P energy: -47.515 tors. eta vs tors. theta energy: -111.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1220.298020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.298020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.298020 (E_RNA) where: Base-Base interactions energy: -804.369 where: short stacking energy: -349.486 Base-Backbone interact. energy: -4.008 local terms energy: -411.920754 where: bonds (distance) C4'-P energy: -89.160 bonds (distance) P-C4' energy: -79.600 flat angles C4'-P-C4' energy: -93.646 flat angles P-C4'-P energy: -53.603 tors. eta vs tors. theta energy: -95.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1128.481582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.481582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.481582 (E_RNA) where: Base-Base interactions energy: -722.035 where: short stacking energy: -339.122 Base-Backbone interact. energy: -1.445 local terms energy: -405.001170 where: bonds (distance) C4'-P energy: -92.746 bonds (distance) P-C4' energy: -67.299 flat angles C4'-P-C4' energy: -91.399 flat angles P-C4'-P energy: -60.264 tors. eta vs tors. theta energy: -93.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -922.484772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.484772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.484772 (E_RNA) where: Base-Base interactions energy: -566.065 where: short stacking energy: -304.673 Base-Backbone interact. energy: -1.263 local terms energy: -355.156392 where: bonds (distance) C4'-P energy: -73.821 bonds (distance) P-C4' energy: -89.229 flat angles C4'-P-C4' energy: -79.243 flat angles P-C4'-P energy: -54.396 tors. eta vs tors. theta energy: -58.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -710.173700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.173700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.173700 (E_RNA) where: Base-Base interactions energy: -399.655 where: short stacking energy: -211.631 Base-Backbone interact. energy: -0.917 local terms energy: -309.601821 where: bonds (distance) C4'-P energy: -79.569 bonds (distance) P-C4' energy: -64.645 flat angles C4'-P-C4' energy: -73.421 flat angles P-C4'-P energy: -53.679 tors. eta vs tors. theta energy: -38.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -472.818747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.818747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.818747 (E_RNA) where: Base-Base interactions energy: -192.091 where: short stacking energy: -124.525 Base-Backbone interact. energy: -1.983 local terms energy: -278.745002 where: bonds (distance) C4'-P energy: -92.108 bonds (distance) P-C4' energy: -86.371 flat angles C4'-P-C4' energy: -65.337 flat angles P-C4'-P energy: -34.316 tors. eta vs tors. theta energy: -0.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -440.442036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.442036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.442036 (E_RNA) where: Base-Base interactions energy: -203.914 where: short stacking energy: -132.418 Base-Backbone interact. energy: 0.409 local terms energy: -236.936891 where: bonds (distance) C4'-P energy: -74.958 bonds (distance) P-C4' energy: -74.973 flat angles C4'-P-C4' energy: -58.320 flat angles P-C4'-P energy: -34.586 tors. eta vs tors. theta energy: 5.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1552.387526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.387526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.387526 (E_RNA) where: Base-Base interactions energy: -1045.424 where: short stacking energy: -461.800 Base-Backbone interact. energy: -4.185 local terms energy: -502.778729 where: bonds (distance) C4'-P energy: -94.380 bonds (distance) P-C4' energy: -97.111 flat angles C4'-P-C4' energy: -107.281 flat angles P-C4'-P energy: -75.166 tors. eta vs tors. theta energy: -128.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1429.577046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.577046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.577046 (E_RNA) where: Base-Base interactions energy: -936.124 where: short stacking energy: -437.502 Base-Backbone interact. energy: 0.277 local terms energy: -493.730268 where: bonds (distance) C4'-P energy: -96.498 bonds (distance) P-C4' energy: -90.761 flat angles C4'-P-C4' energy: -106.240 flat angles P-C4'-P energy: -73.620 tors. eta vs tors. theta energy: -126.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1404.365789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.365789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.365789 (E_RNA) where: Base-Base interactions energy: -953.219 where: short stacking energy: -412.460 Base-Backbone interact. energy: -0.998 local terms energy: -450.148903 where: bonds (distance) C4'-P energy: -95.089 bonds (distance) P-C4' energy: -88.755 flat angles C4'-P-C4' energy: -90.452 flat angles P-C4'-P energy: -63.474 tors. eta vs tors. theta energy: -112.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1351.331537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.331537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.331537 (E_RNA) where: Base-Base interactions energy: -897.636 where: short stacking energy: -397.432 Base-Backbone interact. energy: -3.178 local terms energy: -450.518049 where: bonds (distance) C4'-P energy: -93.441 bonds (distance) P-C4' energy: -90.941 flat angles C4'-P-C4' energy: -86.510 flat angles P-C4'-P energy: -69.986 tors. eta vs tors. theta energy: -109.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1288.501564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.501564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.501564 (E_RNA) where: Base-Base interactions energy: -848.034 where: short stacking energy: -368.220 Base-Backbone interact. energy: -1.545 local terms energy: -438.922327 where: bonds (distance) C4'-P energy: -70.614 bonds (distance) P-C4' energy: -103.981 flat angles C4'-P-C4' energy: -96.298 flat angles P-C4'-P energy: -57.896 tors. eta vs tors. theta energy: -110.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1148.957030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.957030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.957030 (E_RNA) where: Base-Base interactions energy: -743.729 where: short stacking energy: -325.307 Base-Backbone interact. energy: -2.072 local terms energy: -403.156159 where: bonds (distance) C4'-P energy: -76.251 bonds (distance) P-C4' energy: -77.911 flat angles C4'-P-C4' energy: -100.665 flat angles P-C4'-P energy: -69.860 tors. eta vs tors. theta energy: -78.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -894.355562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.355562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.355562 (E_RNA) where: Base-Base interactions energy: -554.643 where: short stacking energy: -274.133 Base-Backbone interact. energy: -2.575 local terms energy: -337.137248 where: bonds (distance) C4'-P energy: -65.482 bonds (distance) P-C4' energy: -83.666 flat angles C4'-P-C4' energy: -84.932 flat angles P-C4'-P energy: -47.177 tors. eta vs tors. theta energy: -55.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -704.402493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.402493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.402493 (E_RNA) where: Base-Base interactions energy: -400.032 where: short stacking energy: -216.624 Base-Backbone interact. energy: 0.641 local terms energy: -305.011702 where: bonds (distance) C4'-P energy: -80.102 bonds (distance) P-C4' energy: -70.422 flat angles C4'-P-C4' energy: -73.616 flat angles P-C4'-P energy: -41.291 tors. eta vs tors. theta energy: -39.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -461.120792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.120792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.120792 (E_RNA) where: Base-Base interactions energy: -202.733 where: short stacking energy: -140.409 Base-Backbone interact. energy: 0.553 local terms energy: -258.941377 where: bonds (distance) C4'-P energy: -79.267 bonds (distance) P-C4' energy: -77.719 flat angles C4'-P-C4' energy: -84.898 flat angles P-C4'-P energy: -37.888 tors. eta vs tors. theta energy: 20.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -446.379008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.379008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.379008 (E_RNA) where: Base-Base interactions energy: -194.200 where: short stacking energy: -137.728 Base-Backbone interact. energy: 2.341 local terms energy: -254.519779 where: bonds (distance) C4'-P energy: -72.875 bonds (distance) P-C4' energy: -72.209 flat angles C4'-P-C4' energy: -69.557 flat angles P-C4'-P energy: -36.629 tors. eta vs tors. theta energy: -3.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1540.077939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.077939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.077939 (E_RNA) where: Base-Base interactions energy: -1044.560 where: short stacking energy: -454.426 Base-Backbone interact. energy: -3.170 local terms energy: -492.348794 where: bonds (distance) C4'-P energy: -94.232 bonds (distance) P-C4' energy: -88.962 flat angles C4'-P-C4' energy: -103.811 flat angles P-C4'-P energy: -72.790 tors. eta vs tors. theta energy: -132.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1417.760880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.760880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.760880 (E_RNA) where: Base-Base interactions energy: -932.363 where: short stacking energy: -446.193 Base-Backbone interact. energy: -2.805 local terms energy: -482.593077 where: bonds (distance) C4'-P energy: -89.063 bonds (distance) P-C4' energy: -85.606 flat angles C4'-P-C4' energy: -102.544 flat angles P-C4'-P energy: -78.765 tors. eta vs tors. theta energy: -126.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1362.411906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.411906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.411906 (E_RNA) where: Base-Base interactions energy: -921.565 where: short stacking energy: -405.132 Base-Backbone interact. energy: -2.799 local terms energy: -438.048082 where: bonds (distance) C4'-P energy: -90.316 bonds (distance) P-C4' energy: -84.117 flat angles C4'-P-C4' energy: -95.311 flat angles P-C4'-P energy: -60.644 tors. eta vs tors. theta energy: -107.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1338.980470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.980470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.980470 (E_RNA) where: Base-Base interactions energy: -908.288 where: short stacking energy: -394.782 Base-Backbone interact. energy: 0.319 local terms energy: -431.011214 where: bonds (distance) C4'-P energy: -89.597 bonds (distance) P-C4' energy: -85.098 flat angles C4'-P-C4' energy: -99.422 flat angles P-C4'-P energy: -55.110 tors. eta vs tors. theta energy: -101.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1295.311910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.311910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.311910 (E_RNA) where: Base-Base interactions energy: -854.173 where: short stacking energy: -374.622 Base-Backbone interact. energy: 0.047 local terms energy: -441.186342 where: bonds (distance) C4'-P energy: -84.958 bonds (distance) P-C4' energy: -89.275 flat angles C4'-P-C4' energy: -105.016 flat angles P-C4'-P energy: -58.122 tors. eta vs tors. theta energy: -103.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1150.934347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.934347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.934347 (E_RNA) where: Base-Base interactions energy: -733.836 where: short stacking energy: -336.531 Base-Backbone interact. energy: -2.855 local terms energy: -414.243599 where: bonds (distance) C4'-P energy: -87.731 bonds (distance) P-C4' energy: -102.626 flat angles C4'-P-C4' energy: -85.038 flat angles P-C4'-P energy: -43.019 tors. eta vs tors. theta energy: -95.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -875.211611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.211611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.211611 (E_RNA) where: Base-Base interactions energy: -521.854 where: short stacking energy: -272.785 Base-Backbone interact. energy: -3.236 local terms energy: -350.122210 where: bonds (distance) C4'-P energy: -80.559 bonds (distance) P-C4' energy: -87.828 flat angles C4'-P-C4' energy: -89.292 flat angles P-C4'-P energy: -43.017 tors. eta vs tors. theta energy: -49.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -701.234946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.234946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.234946 (E_RNA) where: Base-Base interactions energy: -395.270 where: short stacking energy: -201.390 Base-Backbone interact. energy: -0.180 local terms energy: -305.785215 where: bonds (distance) C4'-P energy: -92.961 bonds (distance) P-C4' energy: -84.134 flat angles C4'-P-C4' energy: -70.689 flat angles P-C4'-P energy: -50.330 tors. eta vs tors. theta energy: -7.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -572.504681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.504681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.504681 (E_RNA) where: Base-Base interactions energy: -300.002 where: short stacking energy: -162.810 Base-Backbone interact. energy: -4.583 local terms energy: -267.919728 where: bonds (distance) C4'-P energy: -71.932 bonds (distance) P-C4' energy: -77.219 flat angles C4'-P-C4' energy: -85.655 flat angles P-C4'-P energy: -32.192 tors. eta vs tors. theta energy: -0.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -448.966310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.966310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.966310 (E_RNA) where: Base-Base interactions energy: -219.302 where: short stacking energy: -114.115 Base-Backbone interact. energy: -1.318 local terms energy: -228.346354 where: bonds (distance) C4'-P energy: -68.817 bonds (distance) P-C4' energy: -77.746 flat angles C4'-P-C4' energy: -55.053 flat angles P-C4'-P energy: -44.929 tors. eta vs tors. theta energy: 18.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1533.726434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.726434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.726434 (E_RNA) where: Base-Base interactions energy: -1047.935 where: short stacking energy: -455.831 Base-Backbone interact. energy: -1.304 local terms energy: -484.487425 where: bonds (distance) C4'-P energy: -90.379 bonds (distance) P-C4' energy: -95.939 flat angles C4'-P-C4' energy: -107.032 flat angles P-C4'-P energy: -56.663 tors. eta vs tors. theta energy: -134.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1461.365393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.365393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.365393 (E_RNA) where: Base-Base interactions energy: -967.561 where: short stacking energy: -444.091 Base-Backbone interact. energy: -1.448 local terms energy: -492.355580 where: bonds (distance) C4'-P energy: -94.505 bonds (distance) P-C4' energy: -91.354 flat angles C4'-P-C4' energy: -107.784 flat angles P-C4'-P energy: -69.945 tors. eta vs tors. theta energy: -128.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1455.701507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.701507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.701507 (E_RNA) where: Base-Base interactions energy: -982.815 where: short stacking energy: -421.641 Base-Backbone interact. energy: -4.560 local terms energy: -468.326531 where: bonds (distance) C4'-P energy: -79.488 bonds (distance) P-C4' energy: -96.678 flat angles C4'-P-C4' energy: -102.915 flat angles P-C4'-P energy: -66.355 tors. eta vs tors. theta energy: -122.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -1316.375463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.375463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.375463 (E_RNA) where: Base-Base interactions energy: -875.976 where: short stacking energy: -406.496 Base-Backbone interact. energy: -2.119 local terms energy: -438.280069 where: bonds (distance) C4'-P energy: -90.015 bonds (distance) P-C4' energy: -84.955 flat angles C4'-P-C4' energy: -86.621 flat angles P-C4'-P energy: -57.955 tors. eta vs tors. theta energy: -118.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1298.500817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.500817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.500817 (E_RNA) where: Base-Base interactions energy: -879.824 where: short stacking energy: -389.587 Base-Backbone interact. energy: 2.101 local terms energy: -420.777951 where: bonds (distance) C4'-P energy: -80.624 bonds (distance) P-C4' energy: -75.444 flat angles C4'-P-C4' energy: -93.282 flat angles P-C4'-P energy: -68.115 tors. eta vs tors. theta energy: -103.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1145.654946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.654946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.654946 (E_RNA) where: Base-Base interactions energy: -738.222 where: short stacking energy: -340.604 Base-Backbone interact. energy: -1.975 local terms energy: -405.457680 where: bonds (distance) C4'-P energy: -77.789 bonds (distance) P-C4' energy: -93.358 flat angles C4'-P-C4' energy: -85.966 flat angles P-C4'-P energy: -63.967 tors. eta vs tors. theta energy: -84.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -847.736640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.736640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.736640 (E_RNA) where: Base-Base interactions energy: -504.881 where: short stacking energy: -260.495 Base-Backbone interact. energy: 0.679 local terms energy: -343.534874 where: bonds (distance) C4'-P energy: -74.697 bonds (distance) P-C4' energy: -91.262 flat angles C4'-P-C4' energy: -83.784 flat angles P-C4'-P energy: -51.349 tors. eta vs tors. theta energy: -42.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -730.221385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.221385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.221385 (E_RNA) where: Base-Base interactions energy: -453.508 where: short stacking energy: -212.770 Base-Backbone interact. energy: -1.226 local terms energy: -275.487174 where: bonds (distance) C4'-P energy: -73.069 bonds (distance) P-C4' energy: -65.903 flat angles C4'-P-C4' energy: -83.376 flat angles P-C4'-P energy: -35.569 tors. eta vs tors. theta energy: -17.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -565.909456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.909456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.909456 (E_RNA) where: Base-Base interactions energy: -295.539 where: short stacking energy: -178.716 Base-Backbone interact. energy: 0.688 local terms energy: -271.059219 where: bonds (distance) C4'-P energy: -77.995 bonds (distance) P-C4' energy: -90.592 flat angles C4'-P-C4' energy: -73.847 flat angles P-C4'-P energy: -32.150 tors. eta vs tors. theta energy: 3.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -479.481904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.481904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.481904 (E_RNA) where: Base-Base interactions energy: -213.710 where: short stacking energy: -147.184 Base-Backbone interact. energy: 7.127 local terms energy: -272.898352 where: bonds (distance) C4'-P energy: -79.345 bonds (distance) P-C4' energy: -89.888 flat angles C4'-P-C4' energy: -70.786 flat angles P-C4'-P energy: -42.291 tors. eta vs tors. theta energy: 9.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1546.246453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.246453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.246453 (E_RNA) where: Base-Base interactions energy: -1055.666 where: short stacking energy: -464.838 Base-Backbone interact. energy: 2.278 local terms energy: -492.859002 where: bonds (distance) C4'-P energy: -88.029 bonds (distance) P-C4' energy: -101.516 flat angles C4'-P-C4' energy: -99.929 flat angles P-C4'-P energy: -74.310 tors. eta vs tors. theta energy: -129.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1432.372477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.372477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.372477 (E_RNA) where: Base-Base interactions energy: -955.542 where: short stacking energy: -448.078 Base-Backbone interact. energy: -2.094 local terms energy: -474.736644 where: bonds (distance) C4'-P energy: -88.582 bonds (distance) P-C4' energy: -92.118 flat angles C4'-P-C4' energy: -94.151 flat angles P-C4'-P energy: -68.130 tors. eta vs tors. theta energy: -131.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1416.562796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.562796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.562796 (E_RNA) where: Base-Base interactions energy: -962.608 where: short stacking energy: -403.484 Base-Backbone interact. energy: -4.460 local terms energy: -449.494904 where: bonds (distance) C4'-P energy: -90.199 bonds (distance) P-C4' energy: -70.578 flat angles C4'-P-C4' energy: -111.882 flat angles P-C4'-P energy: -70.095 tors. eta vs tors. theta energy: -106.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1326.047091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.047091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.047091 (E_RNA) where: Base-Base interactions energy: -894.840 where: short stacking energy: -406.413 Base-Backbone interact. energy: -1.514 local terms energy: -429.693409 where: bonds (distance) C4'-P energy: -73.562 bonds (distance) P-C4' energy: -85.199 flat angles C4'-P-C4' energy: -91.191 flat angles P-C4'-P energy: -70.887 tors. eta vs tors. theta energy: -108.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1248.302538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.302538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.302538 (E_RNA) where: Base-Base interactions energy: -833.272 where: short stacking energy: -385.269 Base-Backbone interact. energy: -1.032 local terms energy: -413.999279 where: bonds (distance) C4'-P energy: -94.276 bonds (distance) P-C4' energy: -80.378 flat angles C4'-P-C4' energy: -87.697 flat angles P-C4'-P energy: -53.836 tors. eta vs tors. theta energy: -97.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1147.185110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.185110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.185110 (E_RNA) where: Base-Base interactions energy: -750.031 where: short stacking energy: -351.277 Base-Backbone interact. energy: 1.369 local terms energy: -398.523368 where: bonds (distance) C4'-P energy: -77.400 bonds (distance) P-C4' energy: -74.948 flat angles C4'-P-C4' energy: -99.960 flat angles P-C4'-P energy: -55.994 tors. eta vs tors. theta energy: -90.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -862.679898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.679898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.679898 (E_RNA) where: Base-Base interactions energy: -537.326 where: short stacking energy: -269.283 Base-Backbone interact. energy: 1.842 local terms energy: -327.195443 where: bonds (distance) C4'-P energy: -60.284 bonds (distance) P-C4' energy: -87.193 flat angles C4'-P-C4' energy: -95.522 flat angles P-C4'-P energy: -34.119 tors. eta vs tors. theta energy: -50.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -756.364673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.364673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.364673 (E_RNA) where: Base-Base interactions energy: -435.532 where: short stacking energy: -221.924 Base-Backbone interact. energy: 0.087 local terms energy: -320.919595 where: bonds (distance) C4'-P energy: -64.921 bonds (distance) P-C4' energy: -89.530 flat angles C4'-P-C4' energy: -67.039 flat angles P-C4'-P energy: -57.902 tors. eta vs tors. theta energy: -41.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -487.404348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.404348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.404348 (E_RNA) where: Base-Base interactions energy: -225.861 where: short stacking energy: -110.948 Base-Backbone interact. energy: 2.042 local terms energy: -263.585243 where: bonds (distance) C4'-P energy: -91.099 bonds (distance) P-C4' energy: -72.584 flat angles C4'-P-C4' energy: -72.971 flat angles P-C4'-P energy: -37.759 tors. eta vs tors. theta energy: 10.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -415.768381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.768381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.768381 (E_RNA) where: Base-Base interactions energy: -170.990 where: short stacking energy: -112.814 Base-Backbone interact. energy: -3.674 local terms energy: -241.104285 where: bonds (distance) C4'-P energy: -75.888 bonds (distance) P-C4' energy: -91.880 flat angles C4'-P-C4' energy: -56.572 flat angles P-C4'-P energy: -32.063 tors. eta vs tors. theta energy: 15.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1542.501044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.501044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.501044 (E_RNA) where: Base-Base interactions energy: -1045.209 where: short stacking energy: -461.316 Base-Backbone interact. energy: -2.330 local terms energy: -494.962303 where: bonds (distance) C4'-P energy: -85.056 bonds (distance) P-C4' energy: -102.765 flat angles C4'-P-C4' energy: -97.952 flat angles P-C4'-P energy: -70.408 tors. eta vs tors. theta energy: -138.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1460.014191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.014191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.014191 (E_RNA) where: Base-Base interactions energy: -981.773 where: short stacking energy: -450.179 Base-Backbone interact. energy: -0.468 local terms energy: -477.773684 where: bonds (distance) C4'-P energy: -87.782 bonds (distance) P-C4' energy: -89.606 flat angles C4'-P-C4' energy: -111.008 flat angles P-C4'-P energy: -69.224 tors. eta vs tors. theta energy: -120.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1391.662562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.662562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.662562 (E_RNA) where: Base-Base interactions energy: -935.271 where: short stacking energy: -432.776 Base-Backbone interact. energy: -0.440 local terms energy: -455.951372 where: bonds (distance) C4'-P energy: -80.836 bonds (distance) P-C4' energy: -77.864 flat angles C4'-P-C4' energy: -103.456 flat angles P-C4'-P energy: -66.699 tors. eta vs tors. theta energy: -127.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1329.986304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.986304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.986304 (E_RNA) where: Base-Base interactions energy: -881.503 where: short stacking energy: -383.270 Base-Backbone interact. energy: 1.528 local terms energy: -450.010733 where: bonds (distance) C4'-P energy: -89.404 bonds (distance) P-C4' energy: -85.884 flat angles C4'-P-C4' energy: -103.498 flat angles P-C4'-P energy: -69.433 tors. eta vs tors. theta energy: -101.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1237.157206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.157206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.157206 (E_RNA) where: Base-Base interactions energy: -819.282 where: short stacking energy: -381.470 Base-Backbone interact. energy: -1.959 local terms energy: -415.916346 where: bonds (distance) C4'-P energy: -75.022 bonds (distance) P-C4' energy: -88.366 flat angles C4'-P-C4' energy: -100.716 flat angles P-C4'-P energy: -59.024 tors. eta vs tors. theta energy: -92.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1175.861850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.861850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.861850 (E_RNA) where: Base-Base interactions energy: -760.962 where: short stacking energy: -360.681 Base-Backbone interact. energy: 1.904 local terms energy: -416.804115 where: bonds (distance) C4'-P energy: -72.241 bonds (distance) P-C4' energy: -92.286 flat angles C4'-P-C4' energy: -97.460 flat angles P-C4'-P energy: -60.857 tors. eta vs tors. theta energy: -93.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -893.407641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.407641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.407641 (E_RNA) where: Base-Base interactions energy: -583.991 where: short stacking energy: -277.368 Base-Backbone interact. energy: -0.432 local terms energy: -308.985230 where: bonds (distance) C4'-P energy: -68.313 bonds (distance) P-C4' energy: -76.949 flat angles C4'-P-C4' energy: -63.466 flat angles P-C4'-P energy: -41.625 tors. eta vs tors. theta energy: -58.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -746.116102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.116102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.116102 (E_RNA) where: Base-Base interactions energy: -449.858 where: short stacking energy: -219.840 Base-Backbone interact. energy: -2.380 local terms energy: -293.878260 where: bonds (distance) C4'-P energy: -82.759 bonds (distance) P-C4' energy: -77.054 flat angles C4'-P-C4' energy: -74.203 flat angles P-C4'-P energy: -38.704 tors. eta vs tors. theta energy: -21.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -472.579189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.579189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.579189 (E_RNA) where: Base-Base interactions energy: -194.036 where: short stacking energy: -127.986 Base-Backbone interact. energy: -1.938 local terms energy: -276.605119 where: bonds (distance) C4'-P energy: -95.937 bonds (distance) P-C4' energy: -76.798 flat angles C4'-P-C4' energy: -71.227 flat angles P-C4'-P energy: -37.910 tors. eta vs tors. theta energy: 5.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -394.083411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.083411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.083411 (E_RNA) where: Base-Base interactions energy: -158.231 where: short stacking energy: -117.392 Base-Backbone interact. energy: -2.518 local terms energy: -233.334392 where: bonds (distance) C4'-P energy: -67.216 bonds (distance) P-C4' energy: -83.870 flat angles C4'-P-C4' energy: -59.617 flat angles P-C4'-P energy: -33.998 tors. eta vs tors. theta energy: 11.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1548.802200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.802200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.802200 (E_RNA) where: Base-Base interactions energy: -1047.648 where: short stacking energy: -458.017 Base-Backbone interact. energy: -5.256 local terms energy: -495.898151 where: bonds (distance) C4'-P energy: -97.856 bonds (distance) P-C4' energy: -100.368 flat angles C4'-P-C4' energy: -109.811 flat angles P-C4'-P energy: -55.882 tors. eta vs tors. theta energy: -131.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1459.874733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.874733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.874733 (E_RNA) where: Base-Base interactions energy: -965.744 where: short stacking energy: -443.118 Base-Backbone interact. energy: -0.955 local terms energy: -493.176336 where: bonds (distance) C4'-P energy: -97.686 bonds (distance) P-C4' energy: -94.426 flat angles C4'-P-C4' energy: -105.636 flat angles P-C4'-P energy: -61.917 tors. eta vs tors. theta energy: -133.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1393.783809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.783809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.783809 (E_RNA) where: Base-Base interactions energy: -947.861 where: short stacking energy: -409.683 Base-Backbone interact. energy: 3.829 local terms energy: -449.751184 where: bonds (distance) C4'-P energy: -85.965 bonds (distance) P-C4' energy: -78.978 flat angles C4'-P-C4' energy: -106.475 flat angles P-C4'-P energy: -54.961 tors. eta vs tors. theta energy: -123.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1382.047191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.047191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.047191 (E_RNA) where: Base-Base interactions energy: -956.806 where: short stacking energy: -402.220 Base-Backbone interact. energy: -0.099 local terms energy: -425.142302 where: bonds (distance) C4'-P energy: -76.478 bonds (distance) P-C4' energy: -80.171 flat angles C4'-P-C4' energy: -90.475 flat angles P-C4'-P energy: -59.968 tors. eta vs tors. theta energy: -118.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1226.466579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.466579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.466579 (E_RNA) where: Base-Base interactions energy: -798.067 where: short stacking energy: -354.971 Base-Backbone interact. energy: -1.577 local terms energy: -426.822195 where: bonds (distance) C4'-P energy: -86.560 bonds (distance) P-C4' energy: -91.361 flat angles C4'-P-C4' energy: -98.003 flat angles P-C4'-P energy: -63.656 tors. eta vs tors. theta energy: -87.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1153.668930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.668930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.668930 (E_RNA) where: Base-Base interactions energy: -745.381 where: short stacking energy: -362.909 Base-Backbone interact. energy: -0.563 local terms energy: -407.724898 where: bonds (distance) C4'-P energy: -90.783 bonds (distance) P-C4' energy: -85.792 flat angles C4'-P-C4' energy: -93.922 flat angles P-C4'-P energy: -50.834 tors. eta vs tors. theta energy: -86.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -874.721880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.721880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.721880 (E_RNA) where: Base-Base interactions energy: -531.816 where: short stacking energy: -262.366 Base-Backbone interact. energy: 5.293 local terms energy: -348.198116 where: bonds (distance) C4'-P energy: -76.399 bonds (distance) P-C4' energy: -97.621 flat angles C4'-P-C4' energy: -72.278 flat angles P-C4'-P energy: -52.191 tors. eta vs tors. theta energy: -49.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -690.526956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.526956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.526956 (E_RNA) where: Base-Base interactions energy: -389.742 where: short stacking energy: -169.941 Base-Backbone interact. energy: -3.535 local terms energy: -297.249400 where: bonds (distance) C4'-P energy: -85.507 bonds (distance) P-C4' energy: -86.138 flat angles C4'-P-C4' energy: -61.046 flat angles P-C4'-P energy: -36.844 tors. eta vs tors. theta energy: -27.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -481.389133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.389133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.389133 (E_RNA) where: Base-Base interactions energy: -222.041 where: short stacking energy: -143.145 Base-Backbone interact. energy: -0.494 local terms energy: -258.853873 where: bonds (distance) C4'-P energy: -71.092 bonds (distance) P-C4' energy: -84.749 flat angles C4'-P-C4' energy: -66.969 flat angles P-C4'-P energy: -39.109 tors. eta vs tors. theta energy: 3.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -392.060953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.060953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.060953 (E_RNA) where: Base-Base interactions energy: -151.429 where: short stacking energy: -101.192 Base-Backbone interact. energy: -0.251 local terms energy: -240.380266 where: bonds (distance) C4'-P energy: -75.365 bonds (distance) P-C4' energy: -82.824 flat angles C4'-P-C4' energy: -61.880 flat angles P-C4'-P energy: -39.418 tors. eta vs tors. theta energy: 19.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1547.862076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.862076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.862076 (E_RNA) where: Base-Base interactions energy: -1047.788 where: short stacking energy: -451.562 Base-Backbone interact. energy: -0.954 local terms energy: -499.120080 where: bonds (distance) C4'-P energy: -93.242 bonds (distance) P-C4' energy: -101.805 flat angles C4'-P-C4' energy: -104.354 flat angles P-C4'-P energy: -69.625 tors. eta vs tors. theta energy: -130.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1474.610115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.610115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.610115 (E_RNA) where: Base-Base interactions energy: -974.854 where: short stacking energy: -441.709 Base-Backbone interact. energy: -3.699 local terms energy: -496.057689 where: bonds (distance) C4'-P energy: -97.026 bonds (distance) P-C4' energy: -104.345 flat angles C4'-P-C4' energy: -93.329 flat angles P-C4'-P energy: -68.843 tors. eta vs tors. theta energy: -132.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1449.166646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.166646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.166646 (E_RNA) where: Base-Base interactions energy: -975.620 where: short stacking energy: -444.136 Base-Backbone interact. energy: -5.487 local terms energy: -468.059800 where: bonds (distance) C4'-P energy: -97.579 bonds (distance) P-C4' energy: -82.301 flat angles C4'-P-C4' energy: -96.460 flat angles P-C4'-P energy: -62.830 tors. eta vs tors. theta energy: -128.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1402.278554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.278554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.278554 (E_RNA) where: Base-Base interactions energy: -948.066 where: short stacking energy: -411.846 Base-Backbone interact. energy: -1.282 local terms energy: -452.930467 where: bonds (distance) C4'-P energy: -87.282 bonds (distance) P-C4' energy: -88.453 flat angles C4'-P-C4' energy: -90.284 flat angles P-C4'-P energy: -61.195 tors. eta vs tors. theta energy: -125.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1174.668691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.668691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.668691 (E_RNA) where: Base-Base interactions energy: -783.956 where: short stacking energy: -371.822 Base-Backbone interact. energy: 2.655 local terms energy: -393.367009 where: bonds (distance) C4'-P energy: -72.040 bonds (distance) P-C4' energy: -88.088 flat angles C4'-P-C4' energy: -84.336 flat angles P-C4'-P energy: -57.933 tors. eta vs tors. theta energy: -90.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1218.089222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.089222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.089222 (E_RNA) where: Base-Base interactions energy: -823.250 where: short stacking energy: -365.369 Base-Backbone interact. energy: -0.929 local terms energy: -393.910166 where: bonds (distance) C4'-P energy: -65.076 bonds (distance) P-C4' energy: -81.223 flat angles C4'-P-C4' energy: -91.296 flat angles P-C4'-P energy: -61.292 tors. eta vs tors. theta energy: -95.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -876.581894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.581894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.581894 (E_RNA) where: Base-Base interactions energy: -519.642 where: short stacking energy: -283.485 Base-Backbone interact. energy: 1.646 local terms energy: -358.585828 where: bonds (distance) C4'-P energy: -82.655 bonds (distance) P-C4' energy: -79.467 flat angles C4'-P-C4' energy: -81.925 flat angles P-C4'-P energy: -46.293 tors. eta vs tors. theta energy: -68.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -713.706186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.706186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.706186 (E_RNA) where: Base-Base interactions energy: -422.046 where: short stacking energy: -212.550 Base-Backbone interact. energy: -1.911 local terms energy: -289.749908 where: bonds (distance) C4'-P energy: -60.718 bonds (distance) P-C4' energy: -80.239 flat angles C4'-P-C4' energy: -75.534 flat angles P-C4'-P energy: -51.277 tors. eta vs tors. theta energy: -21.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -460.328905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.328905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.328905 (E_RNA) where: Base-Base interactions energy: -207.875 where: short stacking energy: -133.142 Base-Backbone interact. energy: 0.744 local terms energy: -253.197182 where: bonds (distance) C4'-P energy: -80.234 bonds (distance) P-C4' energy: -80.387 flat angles C4'-P-C4' energy: -49.695 flat angles P-C4'-P energy: -48.887 tors. eta vs tors. theta energy: 6.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -362.870917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.870917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.870917 (E_RNA) where: Base-Base interactions energy: -136.943 where: short stacking energy: -118.000 Base-Backbone interact. energy: 6.135 local terms energy: -232.062765 where: bonds (distance) C4'-P energy: -74.352 bonds (distance) P-C4' energy: -96.419 flat angles C4'-P-C4' energy: -47.660 flat angles P-C4'-P energy: -18.969 tors. eta vs tors. theta energy: 5.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1547.377639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.377639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.377639 (E_RNA) where: Base-Base interactions energy: -1035.439 where: short stacking energy: -454.982 Base-Backbone interact. energy: -4.824 local terms energy: -507.114053 where: bonds (distance) C4'-P energy: -93.610 bonds (distance) P-C4' energy: -101.557 flat angles C4'-P-C4' energy: -109.152 flat angles P-C4'-P energy: -66.196 tors. eta vs tors. theta energy: -136.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1451.154566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.154566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.154566 (E_RNA) where: Base-Base interactions energy: -991.013 where: short stacking energy: -434.038 Base-Backbone interact. energy: -3.516 local terms energy: -456.625626 where: bonds (distance) C4'-P energy: -90.040 bonds (distance) P-C4' energy: -91.467 flat angles C4'-P-C4' energy: -100.733 flat angles P-C4'-P energy: -55.807 tors. eta vs tors. theta energy: -118.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1438.929112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.929112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.929112 (E_RNA) where: Base-Base interactions energy: -974.717 where: short stacking energy: -406.952 Base-Backbone interact. energy: -0.266 local terms energy: -463.945720 where: bonds (distance) C4'-P energy: -74.675 bonds (distance) P-C4' energy: -87.448 flat angles C4'-P-C4' energy: -104.115 flat angles P-C4'-P energy: -79.581 tors. eta vs tors. theta energy: -118.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1407.898551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.898551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.898551 (E_RNA) where: Base-Base interactions energy: -942.405 where: short stacking energy: -429.826 Base-Backbone interact. energy: -5.916 local terms energy: -459.577096 where: bonds (distance) C4'-P energy: -84.760 bonds (distance) P-C4' energy: -80.977 flat angles C4'-P-C4' energy: -96.622 flat angles P-C4'-P energy: -71.396 tors. eta vs tors. theta energy: -125.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1264.532175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.532175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.532175 (E_RNA) where: Base-Base interactions energy: -845.823 where: short stacking energy: -377.451 Base-Backbone interact. energy: -1.672 local terms energy: -417.037456 where: bonds (distance) C4'-P energy: -87.112 bonds (distance) P-C4' energy: -78.640 flat angles C4'-P-C4' energy: -79.199 flat angles P-C4'-P energy: -63.021 tors. eta vs tors. theta energy: -109.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1163.642550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.642550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.642550 (E_RNA) where: Base-Base interactions energy: -773.819 where: short stacking energy: -359.229 Base-Backbone interact. energy: -1.084 local terms energy: -388.739243 where: bonds (distance) C4'-P energy: -82.226 bonds (distance) P-C4' energy: -76.915 flat angles C4'-P-C4' energy: -92.094 flat angles P-C4'-P energy: -58.485 tors. eta vs tors. theta energy: -79.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -933.798501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.798501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.798501 (E_RNA) where: Base-Base interactions energy: -589.472 where: short stacking energy: -266.461 Base-Backbone interact. energy: 1.725 local terms energy: -346.051505 where: bonds (distance) C4'-P energy: -67.695 bonds (distance) P-C4' energy: -78.241 flat angles C4'-P-C4' energy: -84.344 flat angles P-C4'-P energy: -50.830 tors. eta vs tors. theta energy: -64.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -810.276142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.276142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.276142 (E_RNA) where: Base-Base interactions energy: -507.788 where: short stacking energy: -264.462 Base-Backbone interact. energy: 1.266 local terms energy: -303.753512 where: bonds (distance) C4'-P energy: -67.413 bonds (distance) P-C4' energy: -86.834 flat angles C4'-P-C4' energy: -72.310 flat angles P-C4'-P energy: -35.732 tors. eta vs tors. theta energy: -41.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -408.573418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.573418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.573418 (E_RNA) where: Base-Base interactions energy: -171.730 where: short stacking energy: -121.586 Base-Backbone interact. energy: 2.860 local terms energy: -239.703408 where: bonds (distance) C4'-P energy: -75.689 bonds (distance) P-C4' energy: -92.314 flat angles C4'-P-C4' energy: -49.707 flat angles P-C4'-P energy: -28.140 tors. eta vs tors. theta energy: 6.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -368.147357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.147357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.147357 (E_RNA) where: Base-Base interactions energy: -130.856 where: short stacking energy: -116.038 Base-Backbone interact. energy: -0.835 local terms energy: -236.456598 where: bonds (distance) C4'-P energy: -68.835 bonds (distance) P-C4' energy: -92.377 flat angles C4'-P-C4' energy: -58.241 flat angles P-C4'-P energy: -20.974 tors. eta vs tors. theta energy: 3.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1560.844460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.844460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.844460 (E_RNA) where: Base-Base interactions energy: -1055.914 where: short stacking energy: -470.743 Base-Backbone interact. energy: -1.182 local terms energy: -503.748636 where: bonds (distance) C4'-P energy: -91.972 bonds (distance) P-C4' energy: -101.486 flat angles C4'-P-C4' energy: -103.338 flat angles P-C4'-P energy: -76.349 tors. eta vs tors. theta energy: -130.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1455.671479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.671479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.671479 (E_RNA) where: Base-Base interactions energy: -956.310 where: short stacking energy: -445.816 Base-Backbone interact. energy: -0.268 local terms energy: -499.093640 where: bonds (distance) C4'-P energy: -98.292 bonds (distance) P-C4' energy: -103.794 flat angles C4'-P-C4' energy: -102.283 flat angles P-C4'-P energy: -65.498 tors. eta vs tors. theta energy: -129.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1469.494133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.494133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.494133 (E_RNA) where: Base-Base interactions energy: -979.536 where: short stacking energy: -449.663 Base-Backbone interact. energy: -1.572 local terms energy: -488.386142 where: bonds (distance) C4'-P energy: -92.684 bonds (distance) P-C4' energy: -79.355 flat angles C4'-P-C4' energy: -104.169 flat angles P-C4'-P energy: -73.182 tors. eta vs tors. theta energy: -138.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1335.147130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.147130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.147130 (E_RNA) where: Base-Base interactions energy: -921.454 where: short stacking energy: -383.584 Base-Backbone interact. energy: -0.089 local terms energy: -413.604477 where: bonds (distance) C4'-P energy: -77.702 bonds (distance) P-C4' energy: -77.347 flat angles C4'-P-C4' energy: -100.353 flat angles P-C4'-P energy: -56.864 tors. eta vs tors. theta energy: -101.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1271.445334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.445334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.445334 (E_RNA) where: Base-Base interactions energy: -842.928 where: short stacking energy: -388.092 Base-Backbone interact. energy: -1.980 local terms energy: -426.537147 where: bonds (distance) C4'-P energy: -78.672 bonds (distance) P-C4' energy: -93.401 flat angles C4'-P-C4' energy: -85.017 flat angles P-C4'-P energy: -60.445 tors. eta vs tors. theta energy: -109.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1183.729990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.729990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.729990 (E_RNA) where: Base-Base interactions energy: -798.296 where: short stacking energy: -356.188 Base-Backbone interact. energy: 0.265 local terms energy: -385.698570 where: bonds (distance) C4'-P energy: -76.148 bonds (distance) P-C4' energy: -86.858 flat angles C4'-P-C4' energy: -91.505 flat angles P-C4'-P energy: -53.803 tors. eta vs tors. theta energy: -77.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -950.972152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.972152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.972152 (E_RNA) where: Base-Base interactions energy: -580.370 where: short stacking energy: -250.242 Base-Backbone interact. energy: 2.067 local terms energy: -372.669960 where: bonds (distance) C4'-P energy: -75.159 bonds (distance) P-C4' energy: -88.969 flat angles C4'-P-C4' energy: -98.253 flat angles P-C4'-P energy: -52.013 tors. eta vs tors. theta energy: -58.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -787.904085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.904085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.904085 (E_RNA) where: Base-Base interactions energy: -449.266 where: short stacking energy: -223.002 Base-Backbone interact. energy: -3.303 local terms energy: -335.335011 where: bonds (distance) C4'-P energy: -79.755 bonds (distance) P-C4' energy: -94.042 flat angles C4'-P-C4' energy: -72.486 flat angles P-C4'-P energy: -50.587 tors. eta vs tors. theta energy: -38.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -440.596200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.596200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.596200 (E_RNA) where: Base-Base interactions energy: -181.456 where: short stacking energy: -134.229 Base-Backbone interact. energy: -0.111 local terms energy: -259.028795 where: bonds (distance) C4'-P energy: -74.771 bonds (distance) P-C4' energy: -86.362 flat angles C4'-P-C4' energy: -67.542 flat angles P-C4'-P energy: -40.227 tors. eta vs tors. theta energy: 9.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -371.712564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.712564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.712564 (E_RNA) where: Base-Base interactions energy: -153.510 where: short stacking energy: -125.795 Base-Backbone interact. energy: 4.826 local terms energy: -223.029203 where: bonds (distance) C4'-P energy: -70.795 bonds (distance) P-C4' energy: -88.293 flat angles C4'-P-C4' energy: -61.463 flat angles P-C4'-P energy: -33.164 tors. eta vs tors. theta energy: 30.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1543.274742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.274742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.274742 (E_RNA) where: Base-Base interactions energy: -1051.561 where: short stacking energy: -469.555 Base-Backbone interact. energy: -3.605 local terms energy: -488.108724 where: bonds (distance) C4'-P energy: -94.767 bonds (distance) P-C4' energy: -92.328 flat angles C4'-P-C4' energy: -105.599 flat angles P-C4'-P energy: -69.192 tors. eta vs tors. theta energy: -126.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1453.875716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.875716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.875716 (E_RNA) where: Base-Base interactions energy: -960.922 where: short stacking energy: -443.777 Base-Backbone interact. energy: -1.139 local terms energy: -491.814821 where: bonds (distance) C4'-P energy: -93.707 bonds (distance) P-C4' energy: -91.522 flat angles C4'-P-C4' energy: -104.608 flat angles P-C4'-P energy: -73.590 tors. eta vs tors. theta energy: -128.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1474.989389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.989389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.989389 (E_RNA) where: Base-Base interactions energy: -998.073 where: short stacking energy: -455.023 Base-Backbone interact. energy: -1.638 local terms energy: -475.278296 where: bonds (distance) C4'-P energy: -88.735 bonds (distance) P-C4' energy: -79.801 flat angles C4'-P-C4' energy: -109.057 flat angles P-C4'-P energy: -70.809 tors. eta vs tors. theta energy: -126.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1340.720858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.720858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.720858 (E_RNA) where: Base-Base interactions energy: -922.997 where: short stacking energy: -385.132 Base-Backbone interact. energy: 11.642 local terms energy: -429.365770 where: bonds (distance) C4'-P energy: -96.558 bonds (distance) P-C4' energy: -91.334 flat angles C4'-P-C4' energy: -98.549 flat angles P-C4'-P energy: -44.159 tors. eta vs tors. theta energy: -98.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1229.307953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.307953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.307953 (E_RNA) where: Base-Base interactions energy: -814.374 where: short stacking energy: -371.147 Base-Backbone interact. energy: -0.358 local terms energy: -414.575946 where: bonds (distance) C4'-P energy: -93.025 bonds (distance) P-C4' energy: -84.807 flat angles C4'-P-C4' energy: -85.913 flat angles P-C4'-P energy: -57.567 tors. eta vs tors. theta energy: -93.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1158.150667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.150667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.150667 (E_RNA) where: Base-Base interactions energy: -763.036 where: short stacking energy: -352.941 Base-Backbone interact. energy: -0.867 local terms energy: -394.247687 where: bonds (distance) C4'-P energy: -72.635 bonds (distance) P-C4' energy: -81.677 flat angles C4'-P-C4' energy: -94.766 flat angles P-C4'-P energy: -59.470 tors. eta vs tors. theta energy: -85.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -945.361749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.361749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.361749 (E_RNA) where: Base-Base interactions energy: -582.478 where: short stacking energy: -282.120 Base-Backbone interact. energy: 5.633 local terms energy: -368.516454 where: bonds (distance) C4'-P energy: -80.582 bonds (distance) P-C4' energy: -80.672 flat angles C4'-P-C4' energy: -89.765 flat angles P-C4'-P energy: -50.669 tors. eta vs tors. theta energy: -66.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -722.104449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.104449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.104449 (E_RNA) where: Base-Base interactions energy: -428.614 where: short stacking energy: -214.809 Base-Backbone interact. energy: -0.375 local terms energy: -293.114978 where: bonds (distance) C4'-P energy: -74.452 bonds (distance) P-C4' energy: -80.190 flat angles C4'-P-C4' energy: -85.711 flat angles P-C4'-P energy: -36.757 tors. eta vs tors. theta energy: -16.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -403.325521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.325521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.325521 (E_RNA) where: Base-Base interactions energy: -133.002 where: short stacking energy: -117.213 Base-Backbone interact. energy: -0.183 local terms energy: -270.140034 where: bonds (distance) C4'-P energy: -79.060 bonds (distance) P-C4' energy: -94.020 flat angles C4'-P-C4' energy: -64.677 flat angles P-C4'-P energy: -40.120 tors. eta vs tors. theta energy: 7.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -372.452428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.452428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.452428 (E_RNA) where: Base-Base interactions energy: -136.523 where: short stacking energy: -122.553 Base-Backbone interact. energy: -0.840 local terms energy: -235.089679 where: bonds (distance) C4'-P energy: -80.528 bonds (distance) P-C4' energy: -85.382 flat angles C4'-P-C4' energy: -53.307 flat angles P-C4'-P energy: -31.678 tors. eta vs tors. theta energy: 15.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1541.883735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.883735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.883735 (E_RNA) where: Base-Base interactions energy: -1054.711 where: short stacking energy: -465.142 Base-Backbone interact. energy: -3.146 local terms energy: -484.027261 where: bonds (distance) C4'-P energy: -84.207 bonds (distance) P-C4' energy: -91.766 flat angles C4'-P-C4' energy: -105.488 flat angles P-C4'-P energy: -62.198 tors. eta vs tors. theta energy: -140.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1525.412791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.412791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.412791 (E_RNA) where: Base-Base interactions energy: -1019.010 where: short stacking energy: -481.252 Base-Backbone interact. energy: 0.917 local terms energy: -507.320077 where: bonds (distance) C4'-P energy: -94.062 bonds (distance) P-C4' energy: -87.813 flat angles C4'-P-C4' energy: -103.278 flat angles P-C4'-P energy: -78.024 tors. eta vs tors. theta energy: -144.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1423.580222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.580222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.580222 (E_RNA) where: Base-Base interactions energy: -954.607 where: short stacking energy: -423.759 Base-Backbone interact. energy: -0.674 local terms energy: -468.299945 where: bonds (distance) C4'-P energy: -82.808 bonds (distance) P-C4' energy: -92.111 flat angles C4'-P-C4' energy: -95.106 flat angles P-C4'-P energy: -73.943 tors. eta vs tors. theta energy: -124.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1313.239256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.239256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.239256 (E_RNA) where: Base-Base interactions energy: -897.867 where: short stacking energy: -408.081 Base-Backbone interact. energy: -1.747 local terms energy: -413.624980 where: bonds (distance) C4'-P energy: -63.123 bonds (distance) P-C4' energy: -81.061 flat angles C4'-P-C4' energy: -101.123 flat angles P-C4'-P energy: -58.760 tors. eta vs tors. theta energy: -109.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1249.100785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.100785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.100785 (E_RNA) where: Base-Base interactions energy: -837.787 where: short stacking energy: -362.298 Base-Backbone interact. energy: -1.510 local terms energy: -409.804065 where: bonds (distance) C4'-P energy: -72.212 bonds (distance) P-C4' energy: -77.667 flat angles C4'-P-C4' energy: -95.529 flat angles P-C4'-P energy: -68.667 tors. eta vs tors. theta energy: -95.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1183.449622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.449622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.449622 (E_RNA) where: Base-Base interactions energy: -746.883 where: short stacking energy: -348.388 Base-Backbone interact. energy: -2.743 local terms energy: -433.823108 where: bonds (distance) C4'-P energy: -91.055 bonds (distance) P-C4' energy: -84.690 flat angles C4'-P-C4' energy: -100.701 flat angles P-C4'-P energy: -66.939 tors. eta vs tors. theta energy: -90.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -934.744290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.744290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.744290 (E_RNA) where: Base-Base interactions energy: -588.458 where: short stacking energy: -299.080 Base-Backbone interact. energy: -0.891 local terms energy: -345.395867 where: bonds (distance) C4'-P energy: -75.709 bonds (distance) P-C4' energy: -72.534 flat angles C4'-P-C4' energy: -71.430 flat angles P-C4'-P energy: -55.383 tors. eta vs tors. theta energy: -70.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -764.631293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.631293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.631293 (E_RNA) where: Base-Base interactions energy: -451.583 where: short stacking energy: -231.126 Base-Backbone interact. energy: 2.571 local terms energy: -315.618543 where: bonds (distance) C4'-P energy: -86.298 bonds (distance) P-C4' energy: -76.473 flat angles C4'-P-C4' energy: -65.428 flat angles P-C4'-P energy: -50.066 tors. eta vs tors. theta energy: -37.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -397.967699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.967699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.967699 (E_RNA) where: Base-Base interactions energy: -115.916 where: short stacking energy: -105.137 Base-Backbone interact. energy: -1.326 local terms energy: -280.725925 where: bonds (distance) C4'-P energy: -78.488 bonds (distance) P-C4' energy: -93.534 flat angles C4'-P-C4' energy: -54.466 flat angles P-C4'-P energy: -58.843 tors. eta vs tors. theta energy: 4.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -382.170723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.170723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.170723 (E_RNA) where: Base-Base interactions energy: -122.747 where: short stacking energy: -85.354 Base-Backbone interact. energy: -0.048 local terms energy: -259.375300 where: bonds (distance) C4'-P energy: -74.341 bonds (distance) P-C4' energy: -81.292 flat angles C4'-P-C4' energy: -72.924 flat angles P-C4'-P energy: -46.559 tors. eta vs tors. theta energy: 15.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1579.120217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.120217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.120217 (E_RNA) where: Base-Base interactions energy: -1088.308 where: short stacking energy: -484.250 Base-Backbone interact. energy: -1.087 local terms energy: -489.725169 where: bonds (distance) C4'-P energy: -86.289 bonds (distance) P-C4' energy: -79.602 flat angles C4'-P-C4' energy: -106.536 flat angles P-C4'-P energy: -77.428 tors. eta vs tors. theta energy: -139.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1503.611847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.611847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.611847 (E_RNA) where: Base-Base interactions energy: -1023.168 where: short stacking energy: -432.924 Base-Backbone interact. energy: -1.883 local terms energy: -478.560729 where: bonds (distance) C4'-P energy: -85.931 bonds (distance) P-C4' energy: -101.746 flat angles C4'-P-C4' energy: -103.403 flat angles P-C4'-P energy: -69.522 tors. eta vs tors. theta energy: -117.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1404.694422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.694422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.694422 (E_RNA) where: Base-Base interactions energy: -919.026 where: short stacking energy: -427.477 Base-Backbone interact. energy: -2.133 local terms energy: -483.535105 where: bonds (distance) C4'-P energy: -87.232 bonds (distance) P-C4' energy: -97.746 flat angles C4'-P-C4' energy: -108.905 flat angles P-C4'-P energy: -66.411 tors. eta vs tors. theta energy: -123.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1337.965930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.965930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.965930 (E_RNA) where: Base-Base interactions energy: -881.178 where: short stacking energy: -390.835 Base-Backbone interact. energy: -2.510 local terms energy: -454.277203 where: bonds (distance) C4'-P energy: -81.494 bonds (distance) P-C4' energy: -97.684 flat angles C4'-P-C4' energy: -103.091 flat angles P-C4'-P energy: -63.703 tors. eta vs tors. theta energy: -108.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1322.176518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.176518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.176518 (E_RNA) where: Base-Base interactions energy: -892.718 where: short stacking energy: -392.132 Base-Backbone interact. energy: -1.309 local terms energy: -428.149634 where: bonds (distance) C4'-P energy: -76.537 bonds (distance) P-C4' energy: -81.335 flat angles C4'-P-C4' energy: -90.773 flat angles P-C4'-P energy: -67.797 tors. eta vs tors. theta energy: -111.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1228.674112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.674112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.674112 (E_RNA) where: Base-Base interactions energy: -830.435 where: short stacking energy: -396.545 Base-Backbone interact. energy: -0.161 local terms energy: -398.078179 where: bonds (distance) C4'-P energy: -60.982 bonds (distance) P-C4' energy: -84.744 flat angles C4'-P-C4' energy: -93.778 flat angles P-C4'-P energy: -60.119 tors. eta vs tors. theta energy: -98.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -957.520922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.520922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.520922 (E_RNA) where: Base-Base interactions energy: -603.267 where: short stacking energy: -292.633 Base-Backbone interact. energy: -1.839 local terms energy: -352.414758 where: bonds (distance) C4'-P energy: -64.846 bonds (distance) P-C4' energy: -93.266 flat angles C4'-P-C4' energy: -76.664 flat angles P-C4'-P energy: -46.215 tors. eta vs tors. theta energy: -71.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -749.389286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.389286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.389286 (E_RNA) where: Base-Base interactions energy: -440.549 where: short stacking energy: -207.488 Base-Backbone interact. energy: 1.078 local terms energy: -309.918369 where: bonds (distance) C4'-P energy: -70.254 bonds (distance) P-C4' energy: -80.742 flat angles C4'-P-C4' energy: -84.498 flat angles P-C4'-P energy: -51.377 tors. eta vs tors. theta energy: -23.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -410.331464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.331464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.331464 (E_RNA) where: Base-Base interactions energy: -149.158 where: short stacking energy: -126.936 Base-Backbone interact. energy: -2.960 local terms energy: -258.212973 where: bonds (distance) C4'-P energy: -75.525 bonds (distance) P-C4' energy: -87.223 flat angles C4'-P-C4' energy: -69.482 flat angles P-C4'-P energy: -42.751 tors. eta vs tors. theta energy: 16.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -387.483451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.483451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.483451 (E_RNA) where: Base-Base interactions energy: -157.014 where: short stacking energy: -116.999 Base-Backbone interact. energy: -1.513 local terms energy: -228.956140 where: bonds (distance) C4'-P energy: -64.179 bonds (distance) P-C4' energy: -81.579 flat angles C4'-P-C4' energy: -60.377 flat angles P-C4'-P energy: -39.037 tors. eta vs tors. theta energy: 16.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1586.378951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.378951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.378951 (E_RNA) where: Base-Base interactions energy: -1076.399 where: short stacking energy: -492.419 Base-Backbone interact. energy: 1.553 local terms energy: -511.533574 where: bonds (distance) C4'-P energy: -88.274 bonds (distance) P-C4' energy: -96.397 flat angles C4'-P-C4' energy: -110.121 flat angles P-C4'-P energy: -65.809 tors. eta vs tors. theta energy: -150.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1506.009211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.009211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.009211 (E_RNA) where: Base-Base interactions energy: -1022.642 where: short stacking energy: -459.235 Base-Backbone interact. energy: -3.143 local terms energy: -480.224093 where: bonds (distance) C4'-P energy: -94.781 bonds (distance) P-C4' energy: -93.128 flat angles C4'-P-C4' energy: -95.060 flat angles P-C4'-P energy: -67.628 tors. eta vs tors. theta energy: -129.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1413.355689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.355689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.355689 (E_RNA) where: Base-Base interactions energy: -931.044 where: short stacking energy: -425.798 Base-Backbone interact. energy: -1.516 local terms energy: -480.795751 where: bonds (distance) C4'-P energy: -87.496 bonds (distance) P-C4' energy: -101.883 flat angles C4'-P-C4' energy: -97.643 flat angles P-C4'-P energy: -55.603 tors. eta vs tors. theta energy: -138.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1396.030691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.030691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.030691 (E_RNA) where: Base-Base interactions energy: -922.900 where: short stacking energy: -400.738 Base-Backbone interact. energy: -1.851 local terms energy: -471.280002 where: bonds (distance) C4'-P energy: -83.464 bonds (distance) P-C4' energy: -102.291 flat angles C4'-P-C4' energy: -105.203 flat angles P-C4'-P energy: -65.503 tors. eta vs tors. theta energy: -114.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1359.985528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.985528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.985528 (E_RNA) where: Base-Base interactions energy: -943.116 where: short stacking energy: -387.790 Base-Backbone interact. energy: -0.765 local terms energy: -416.104529 where: bonds (distance) C4'-P energy: -82.411 bonds (distance) P-C4' energy: -82.083 flat angles C4'-P-C4' energy: -90.562 flat angles P-C4'-P energy: -57.296 tors. eta vs tors. theta energy: -103.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1207.140961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.140961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.140961 (E_RNA) where: Base-Base interactions energy: -796.000 where: short stacking energy: -355.062 Base-Backbone interact. energy: 0.126 local terms energy: -411.267155 where: bonds (distance) C4'-P energy: -97.908 bonds (distance) P-C4' energy: -78.488 flat angles C4'-P-C4' energy: -92.037 flat angles P-C4'-P energy: -55.147 tors. eta vs tors. theta energy: -87.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -935.189589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.189589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.189589 (E_RNA) where: Base-Base interactions energy: -596.281 where: short stacking energy: -280.490 Base-Backbone interact. energy: 1.722 local terms energy: -340.631226 where: bonds (distance) C4'-P energy: -63.944 bonds (distance) P-C4' energy: -73.889 flat angles C4'-P-C4' energy: -78.798 flat angles P-C4'-P energy: -55.772 tors. eta vs tors. theta energy: -68.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -693.831661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.831661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.831661 (E_RNA) where: Base-Base interactions energy: -375.695 where: short stacking energy: -188.743 Base-Backbone interact. energy: -0.899 local terms energy: -317.238229 where: bonds (distance) C4'-P energy: -91.426 bonds (distance) P-C4' energy: -90.679 flat angles C4'-P-C4' energy: -66.586 flat angles P-C4'-P energy: -47.468 tors. eta vs tors. theta energy: -21.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -471.805686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.805686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.805686 (E_RNA) where: Base-Base interactions energy: -206.942 where: short stacking energy: -163.335 Base-Backbone interact. energy: 1.585 local terms energy: -266.448087 where: bonds (distance) C4'-P energy: -86.856 bonds (distance) P-C4' energy: -67.899 flat angles C4'-P-C4' energy: -65.949 flat angles P-C4'-P energy: -46.423 tors. eta vs tors. theta energy: 0.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -432.144263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.144263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.144263 (E_RNA) where: Base-Base interactions energy: -185.207 where: short stacking energy: -111.030 Base-Backbone interact. energy: -1.235 local terms energy: -245.702736 where: bonds (distance) C4'-P energy: -73.165 bonds (distance) P-C4' energy: -85.040 flat angles C4'-P-C4' energy: -59.488 flat angles P-C4'-P energy: -37.228 tors. eta vs tors. theta energy: 9.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1596.198361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.198361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.198361 (E_RNA) where: Base-Base interactions energy: -1082.102 where: short stacking energy: -497.750 Base-Backbone interact. energy: -1.511 local terms energy: -512.585304 where: bonds (distance) C4'-P energy: -95.006 bonds (distance) P-C4' energy: -100.184 flat angles C4'-P-C4' energy: -102.862 flat angles P-C4'-P energy: -73.469 tors. eta vs tors. theta energy: -141.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1488.722015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.722015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.722015 (E_RNA) where: Base-Base interactions energy: -1010.622 where: short stacking energy: -428.319 Base-Backbone interact. energy: -5.104 local terms energy: -472.996304 where: bonds (distance) C4'-P energy: -89.938 bonds (distance) P-C4' energy: -103.389 flat angles C4'-P-C4' energy: -100.315 flat angles P-C4'-P energy: -64.223 tors. eta vs tors. theta energy: -115.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1451.579573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.579573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.579573 (E_RNA) where: Base-Base interactions energy: -995.690 where: short stacking energy: -422.951 Base-Backbone interact. energy: -1.197 local terms energy: -454.692677 where: bonds (distance) C4'-P energy: -94.062 bonds (distance) P-C4' energy: -88.702 flat angles C4'-P-C4' energy: -91.831 flat angles P-C4'-P energy: -54.944 tors. eta vs tors. theta energy: -125.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1349.809450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.809450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.809450 (E_RNA) where: Base-Base interactions energy: -881.586 where: short stacking energy: -404.623 Base-Backbone interact. energy: -1.750 local terms energy: -466.473819 where: bonds (distance) C4'-P energy: -98.948 bonds (distance) P-C4' energy: -87.113 flat angles C4'-P-C4' energy: -98.879 flat angles P-C4'-P energy: -58.562 tors. eta vs tors. theta energy: -122.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1335.228524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.228524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.228524 (E_RNA) where: Base-Base interactions energy: -925.803 where: short stacking energy: -404.531 Base-Backbone interact. energy: 0.579 local terms energy: -410.004508 where: bonds (distance) C4'-P energy: -70.788 bonds (distance) P-C4' energy: -75.346 flat angles C4'-P-C4' energy: -98.406 flat angles P-C4'-P energy: -51.804 tors. eta vs tors. theta energy: -113.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1210.626967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.626967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.626967 (E_RNA) where: Base-Base interactions energy: -786.461 where: short stacking energy: -357.117 Base-Backbone interact. energy: -0.792 local terms energy: -423.374032 where: bonds (distance) C4'-P energy: -74.931 bonds (distance) P-C4' energy: -81.984 flat angles C4'-P-C4' energy: -93.687 flat angles P-C4'-P energy: -66.140 tors. eta vs tors. theta energy: -106.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -942.251618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.251618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.251618 (E_RNA) where: Base-Base interactions energy: -591.370 where: short stacking energy: -289.911 Base-Backbone interact. energy: -2.688 local terms energy: -348.193497 where: bonds (distance) C4'-P energy: -78.776 bonds (distance) P-C4' energy: -90.496 flat angles C4'-P-C4' energy: -89.180 flat angles P-C4'-P energy: -38.882 tors. eta vs tors. theta energy: -50.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -748.235193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.235193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.235193 (E_RNA) where: Base-Base interactions energy: -433.161 where: short stacking energy: -210.115 Base-Backbone interact. energy: -3.281 local terms energy: -311.793661 where: bonds (distance) C4'-P energy: -78.335 bonds (distance) P-C4' energy: -78.970 flat angles C4'-P-C4' energy: -92.551 flat angles P-C4'-P energy: -44.725 tors. eta vs tors. theta energy: -17.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -486.820465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.820465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.820465 (E_RNA) where: Base-Base interactions energy: -210.583 where: short stacking energy: -148.772 Base-Backbone interact. energy: 0.594 local terms energy: -276.831793 where: bonds (distance) C4'-P energy: -68.444 bonds (distance) P-C4' energy: -82.741 flat angles C4'-P-C4' energy: -80.702 flat angles P-C4'-P energy: -34.736 tors. eta vs tors. theta energy: -10.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -411.182264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.182264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.182264 (E_RNA) where: Base-Base interactions energy: -164.853 where: short stacking energy: -118.880 Base-Backbone interact. energy: -0.844 local terms energy: -245.486038 where: bonds (distance) C4'-P energy: -66.870 bonds (distance) P-C4' energy: -88.704 flat angles C4'-P-C4' energy: -62.585 flat angles P-C4'-P energy: -38.490 tors. eta vs tors. theta energy: 11.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1586.675707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.675707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.675707 (E_RNA) where: Base-Base interactions energy: -1057.017 where: short stacking energy: -484.007 Base-Backbone interact. energy: -1.592 local terms energy: -528.067096 where: bonds (distance) C4'-P energy: -101.660 bonds (distance) P-C4' energy: -97.980 flat angles C4'-P-C4' energy: -112.573 flat angles P-C4'-P energy: -75.061 tors. eta vs tors. theta energy: -140.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1510.542633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.542633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.542633 (E_RNA) where: Base-Base interactions energy: -1024.886 where: short stacking energy: -446.911 Base-Backbone interact. energy: -2.493 local terms energy: -483.164096 where: bonds (distance) C4'-P energy: -97.898 bonds (distance) P-C4' energy: -80.619 flat angles C4'-P-C4' energy: -99.232 flat angles P-C4'-P energy: -76.473 tors. eta vs tors. theta energy: -128.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1457.467088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.467088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.467088 (E_RNA) where: Base-Base interactions energy: -962.879 where: short stacking energy: -427.983 Base-Backbone interact. energy: -4.303 local terms energy: -490.284769 where: bonds (distance) C4'-P energy: -91.396 bonds (distance) P-C4' energy: -97.438 flat angles C4'-P-C4' energy: -109.290 flat angles P-C4'-P energy: -71.646 tors. eta vs tors. theta energy: -120.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1389.917672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.917672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.917672 (E_RNA) where: Base-Base interactions energy: -930.577 where: short stacking energy: -440.224 Base-Backbone interact. energy: -1.353 local terms energy: -457.987454 where: bonds (distance) C4'-P energy: -78.636 bonds (distance) P-C4' energy: -81.478 flat angles C4'-P-C4' energy: -103.197 flat angles P-C4'-P energy: -66.419 tors. eta vs tors. theta energy: -128.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1302.356157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.356157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.356157 (E_RNA) where: Base-Base interactions energy: -889.194 where: short stacking energy: -400.376 Base-Backbone interact. energy: -1.720 local terms energy: -411.442716 where: bonds (distance) C4'-P energy: -81.995 bonds (distance) P-C4' energy: -86.117 flat angles C4'-P-C4' energy: -94.251 flat angles P-C4'-P energy: -39.404 tors. eta vs tors. theta energy: -109.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1196.927970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.927970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.927970 (E_RNA) where: Base-Base interactions energy: -774.465 where: short stacking energy: -358.912 Base-Backbone interact. energy: -0.959 local terms energy: -421.503921 where: bonds (distance) C4'-P energy: -96.012 bonds (distance) P-C4' energy: -80.720 flat angles C4'-P-C4' energy: -104.578 flat angles P-C4'-P energy: -48.756 tors. eta vs tors. theta energy: -91.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -910.353837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.353837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.353837 (E_RNA) where: Base-Base interactions energy: -569.147 where: short stacking energy: -276.441 Base-Backbone interact. energy: -0.490 local terms energy: -340.716505 where: bonds (distance) C4'-P energy: -71.077 bonds (distance) P-C4' energy: -79.047 flat angles C4'-P-C4' energy: -80.197 flat angles P-C4'-P energy: -52.798 tors. eta vs tors. theta energy: -57.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -746.785866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.785866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.785866 (E_RNA) where: Base-Base interactions energy: -443.853 where: short stacking energy: -230.984 Base-Backbone interact. energy: -0.389 local terms energy: -302.543416 where: bonds (distance) C4'-P energy: -65.638 bonds (distance) P-C4' energy: -84.102 flat angles C4'-P-C4' energy: -79.464 flat angles P-C4'-P energy: -46.273 tors. eta vs tors. theta energy: -27.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -546.074796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.074796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.074796 (E_RNA) where: Base-Base interactions energy: -265.980 where: short stacking energy: -156.925 Base-Backbone interact. energy: -1.428 local terms energy: -278.667101 where: bonds (distance) C4'-P energy: -69.606 bonds (distance) P-C4' energy: -85.126 flat angles C4'-P-C4' energy: -73.085 flat angles P-C4'-P energy: -47.283 tors. eta vs tors. theta energy: -3.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -410.077203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.077203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.077203 (E_RNA) where: Base-Base interactions energy: -138.183 where: short stacking energy: -104.350 Base-Backbone interact. energy: -1.244 local terms energy: -270.649641 where: bonds (distance) C4'-P energy: -79.824 bonds (distance) P-C4' energy: -87.707 flat angles C4'-P-C4' energy: -71.756 flat angles P-C4'-P energy: -49.698 tors. eta vs tors. theta energy: 18.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1606.854012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.854012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.854012 (E_RNA) where: Base-Base interactions energy: -1088.001 where: short stacking energy: -496.403 Base-Backbone interact. energy: -3.567 local terms energy: -515.285206 where: bonds (distance) C4'-P energy: -95.911 bonds (distance) P-C4' energy: -98.164 flat angles C4'-P-C4' energy: -106.211 flat angles P-C4'-P energy: -68.004 tors. eta vs tors. theta energy: -146.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1515.314308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.314308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.314308 (E_RNA) where: Base-Base interactions energy: -1039.944 where: short stacking energy: -476.135 Base-Backbone interact. energy: -0.816 local terms energy: -474.554626 where: bonds (distance) C4'-P energy: -69.695 bonds (distance) P-C4' energy: -94.529 flat angles C4'-P-C4' energy: -96.885 flat angles P-C4'-P energy: -72.165 tors. eta vs tors. theta energy: -141.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1453.962514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.962514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.962514 (E_RNA) where: Base-Base interactions energy: -1000.832 where: short stacking energy: -446.578 Base-Backbone interact. energy: -1.495 local terms energy: -451.636131 where: bonds (distance) C4'-P energy: -80.423 bonds (distance) P-C4' energy: -78.592 flat angles C4'-P-C4' energy: -104.303 flat angles P-C4'-P energy: -65.475 tors. eta vs tors. theta energy: -122.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -1318.550187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.550187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.550187 (E_RNA) where: Base-Base interactions energy: -870.891 where: short stacking energy: -411.302 Base-Backbone interact. energy: -2.320 local terms energy: -445.339153 where: bonds (distance) C4'-P energy: -78.758 bonds (distance) P-C4' energy: -100.967 flat angles C4'-P-C4' energy: -97.789 flat angles P-C4'-P energy: -60.381 tors. eta vs tors. theta energy: -107.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1290.133891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.133891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.133891 (E_RNA) where: Base-Base interactions energy: -850.248 where: short stacking energy: -376.463 Base-Backbone interact. energy: 0.393 local terms energy: -440.279021 where: bonds (distance) C4'-P energy: -80.439 bonds (distance) P-C4' energy: -93.667 flat angles C4'-P-C4' energy: -96.458 flat angles P-C4'-P energy: -57.885 tors. eta vs tors. theta energy: -111.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1188.867634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.867634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.867634 (E_RNA) where: Base-Base interactions energy: -772.785 where: short stacking energy: -347.997 Base-Backbone interact. energy: 0.814 local terms energy: -416.896426 where: bonds (distance) C4'-P energy: -90.061 bonds (distance) P-C4' energy: -93.589 flat angles C4'-P-C4' energy: -91.142 flat angles P-C4'-P energy: -51.875 tors. eta vs tors. theta energy: -90.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -899.058675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.058675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.058675 (E_RNA) where: Base-Base interactions energy: -570.991 where: short stacking energy: -289.865 Base-Backbone interact. energy: -0.969 local terms energy: -327.098313 where: bonds (distance) C4'-P energy: -60.709 bonds (distance) P-C4' energy: -71.342 flat angles C4'-P-C4' energy: -88.136 flat angles P-C4'-P energy: -48.913 tors. eta vs tors. theta energy: -57.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -731.841115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.841115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.841115 (E_RNA) where: Base-Base interactions energy: -442.488 where: short stacking energy: -229.868 Base-Backbone interact. energy: -0.626 local terms energy: -288.727175 where: bonds (distance) C4'-P energy: -66.721 bonds (distance) P-C4' energy: -74.917 flat angles C4'-P-C4' energy: -74.622 flat angles P-C4'-P energy: -45.197 tors. eta vs tors. theta energy: -27.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -435.884904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.884904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.884904 (E_RNA) where: Base-Base interactions energy: -159.024 where: short stacking energy: -127.106 Base-Backbone interact. energy: -2.696 local terms energy: -274.165588 where: bonds (distance) C4'-P energy: -94.388 bonds (distance) P-C4' energy: -78.459 flat angles C4'-P-C4' energy: -67.492 flat angles P-C4'-P energy: -57.288 tors. eta vs tors. theta energy: 23.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -435.949010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.949010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.949010 (E_RNA) where: Base-Base interactions energy: -197.815 where: short stacking energy: -119.189 Base-Backbone interact. energy: -1.403 local terms energy: -236.731174 where: bonds (distance) C4'-P energy: -57.820 bonds (distance) P-C4' energy: -86.842 flat angles C4'-P-C4' energy: -59.291 flat angles P-C4'-P energy: -40.256 tors. eta vs tors. theta energy: 7.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1602.764497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.764497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.764497 (E_RNA) where: Base-Base interactions energy: -1097.079 where: short stacking energy: -482.392 Base-Backbone interact. energy: 0.736 local terms energy: -506.422416 where: bonds (distance) C4'-P energy: -85.317 bonds (distance) P-C4' energy: -98.067 flat angles C4'-P-C4' energy: -111.602 flat angles P-C4'-P energy: -66.625 tors. eta vs tors. theta energy: -144.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1522.118048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.118048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.118048 (E_RNA) where: Base-Base interactions energy: -1022.920 where: short stacking energy: -455.765 Base-Backbone interact. energy: -4.357 local terms energy: -494.841831 where: bonds (distance) C4'-P energy: -97.620 bonds (distance) P-C4' energy: -85.734 flat angles C4'-P-C4' energy: -99.305 flat angles P-C4'-P energy: -71.567 tors. eta vs tors. theta energy: -140.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1450.899267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.899267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.899267 (E_RNA) where: Base-Base interactions energy: -983.627 where: short stacking energy: -418.564 Base-Backbone interact. energy: -0.338 local terms energy: -466.933605 where: bonds (distance) C4'-P energy: -83.748 bonds (distance) P-C4' energy: -96.182 flat angles C4'-P-C4' energy: -99.223 flat angles P-C4'-P energy: -63.413 tors. eta vs tors. theta energy: -124.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1339.405185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.405185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.405185 (E_RNA) where: Base-Base interactions energy: -867.433 where: short stacking energy: -401.951 Base-Backbone interact. energy: -2.184 local terms energy: -469.787952 where: bonds (distance) C4'-P energy: -90.363 bonds (distance) P-C4' energy: -94.673 flat angles C4'-P-C4' energy: -97.211 flat angles P-C4'-P energy: -61.684 tors. eta vs tors. theta energy: -125.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1259.665095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.665095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.665095 (E_RNA) where: Base-Base interactions energy: -848.922 where: short stacking energy: -387.108 Base-Backbone interact. energy: 2.683 local terms energy: -413.425775 where: bonds (distance) C4'-P energy: -87.574 bonds (distance) P-C4' energy: -81.658 flat angles C4'-P-C4' energy: -83.060 flat angles P-C4'-P energy: -62.302 tors. eta vs tors. theta energy: -98.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1226.462880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.462880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.462880 (E_RNA) where: Base-Base interactions energy: -823.458 where: short stacking energy: -379.779 Base-Backbone interact. energy: 2.319 local terms energy: -405.323617 where: bonds (distance) C4'-P energy: -74.076 bonds (distance) P-C4' energy: -88.305 flat angles C4'-P-C4' energy: -86.729 flat angles P-C4'-P energy: -51.662 tors. eta vs tors. theta energy: -104.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -850.431280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.431280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.431280 (E_RNA) where: Base-Base interactions energy: -487.424 where: short stacking energy: -247.911 Base-Backbone interact. energy: -1.717 local terms energy: -361.290461 where: bonds (distance) C4'-P energy: -94.701 bonds (distance) P-C4' energy: -77.374 flat angles C4'-P-C4' energy: -87.643 flat angles P-C4'-P energy: -55.702 tors. eta vs tors. theta energy: -45.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -749.271990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.271990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.271990 (E_RNA) where: Base-Base interactions energy: -440.573 where: short stacking energy: -223.266 Base-Backbone interact. energy: -1.930 local terms energy: -306.769028 where: bonds (distance) C4'-P energy: -91.913 bonds (distance) P-C4' energy: -78.234 flat angles C4'-P-C4' energy: -77.510 flat angles P-C4'-P energy: -43.612 tors. eta vs tors. theta energy: -15.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -403.863470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.863470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.863470 (E_RNA) where: Base-Base interactions energy: -169.249 where: short stacking energy: -139.597 Base-Backbone interact. energy: -2.191 local terms energy: -232.423287 where: bonds (distance) C4'-P energy: -76.291 bonds (distance) P-C4' energy: -70.173 flat angles C4'-P-C4' energy: -66.500 flat angles P-C4'-P energy: -27.926 tors. eta vs tors. theta energy: 8.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -399.574106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.574106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.574106 (E_RNA) where: Base-Base interactions energy: -154.774 where: short stacking energy: -108.179 Base-Backbone interact. energy: -2.758 local terms energy: -242.041134 where: bonds (distance) C4'-P energy: -69.033 bonds (distance) P-C4' energy: -79.994 flat angles C4'-P-C4' energy: -55.516 flat angles P-C4'-P energy: -51.386 tors. eta vs tors. theta energy: 13.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1570.626764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.626764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.626764 (E_RNA) where: Base-Base interactions energy: -1072.558 where: short stacking energy: -452.465 Base-Backbone interact. energy: -1.309 local terms energy: -496.760204 where: bonds (distance) C4'-P energy: -91.596 bonds (distance) P-C4' energy: -95.730 flat angles C4'-P-C4' energy: -106.406 flat angles P-C4'-P energy: -73.917 tors. eta vs tors. theta energy: -129.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1567.065702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.065702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.065702 (E_RNA) where: Base-Base interactions energy: -1064.228 where: short stacking energy: -490.932 Base-Backbone interact. energy: -0.684 local terms energy: -502.153887 where: bonds (distance) C4'-P energy: -82.194 bonds (distance) P-C4' energy: -96.824 flat angles C4'-P-C4' energy: -110.724 flat angles P-C4'-P energy: -73.173 tors. eta vs tors. theta energy: -139.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1485.005140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.005140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.005140 (E_RNA) where: Base-Base interactions energy: -997.007 where: short stacking energy: -440.188 Base-Backbone interact. energy: -2.324 local terms energy: -485.674151 where: bonds (distance) C4'-P energy: -92.344 bonds (distance) P-C4' energy: -101.613 flat angles C4'-P-C4' energy: -99.724 flat angles P-C4'-P energy: -56.939 tors. eta vs tors. theta energy: -135.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1311.306020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.306020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.306020 (E_RNA) where: Base-Base interactions energy: -855.473 where: short stacking energy: -420.024 Base-Backbone interact. energy: 3.281 local terms energy: -459.113697 where: bonds (distance) C4'-P energy: -86.405 bonds (distance) P-C4' energy: -85.592 flat angles C4'-P-C4' energy: -100.054 flat angles P-C4'-P energy: -65.151 tors. eta vs tors. theta energy: -121.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1246.193295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.193295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.193295 (E_RNA) where: Base-Base interactions energy: -826.199 where: short stacking energy: -387.170 Base-Backbone interact. energy: -2.146 local terms energy: -417.847872 where: bonds (distance) C4'-P energy: -91.195 bonds (distance) P-C4' energy: -85.669 flat angles C4'-P-C4' energy: -87.919 flat angles P-C4'-P energy: -67.408 tors. eta vs tors. theta energy: -85.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1281.897045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.897045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.897045 (E_RNA) where: Base-Base interactions energy: -851.782 where: short stacking energy: -393.954 Base-Backbone interact. energy: -3.970 local terms energy: -426.144564 where: bonds (distance) C4'-P energy: -81.295 bonds (distance) P-C4' energy: -96.119 flat angles C4'-P-C4' energy: -91.430 flat angles P-C4'-P energy: -47.118 tors. eta vs tors. theta energy: -110.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -839.509817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.509817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.509817 (E_RNA) where: Base-Base interactions energy: -495.164 where: short stacking energy: -252.218 Base-Backbone interact. energy: -0.512 local terms energy: -343.833864 where: bonds (distance) C4'-P energy: -81.436 bonds (distance) P-C4' energy: -78.854 flat angles C4'-P-C4' energy: -84.247 flat angles P-C4'-P energy: -45.879 tors. eta vs tors. theta energy: -53.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -792.846931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.846931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.846931 (E_RNA) where: Base-Base interactions energy: -453.156 where: short stacking energy: -225.431 Base-Backbone interact. energy: 0.388 local terms energy: -340.079565 where: bonds (distance) C4'-P energy: -79.512 bonds (distance) P-C4' energy: -82.282 flat angles C4'-P-C4' energy: -82.914 flat angles P-C4'-P energy: -42.019 tors. eta vs tors. theta energy: -53.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -401.323712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.323712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.323712 (E_RNA) where: Base-Base interactions energy: -134.550 where: short stacking energy: -121.103 Base-Backbone interact. energy: -0.131 local terms energy: -266.642031 where: bonds (distance) C4'-P energy: -75.303 bonds (distance) P-C4' energy: -83.242 flat angles C4'-P-C4' energy: -70.651 flat angles P-C4'-P energy: -40.222 tors. eta vs tors. theta energy: 2.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -391.108451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.108451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.108451 (E_RNA) where: Base-Base interactions energy: -137.096 where: short stacking energy: -110.002 Base-Backbone interact. energy: 0.247 local terms energy: -254.259254 where: bonds (distance) C4'-P energy: -83.463 bonds (distance) P-C4' energy: -71.893 flat angles C4'-P-C4' energy: -69.418 flat angles P-C4'-P energy: -42.475 tors. eta vs tors. theta energy: 12.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1560.564840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.564840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.564840 (E_RNA) where: Base-Base interactions energy: -1064.042 where: short stacking energy: -460.732 Base-Backbone interact. energy: -0.529 local terms energy: -495.993610 where: bonds (distance) C4'-P energy: -101.569 bonds (distance) P-C4' energy: -94.518 flat angles C4'-P-C4' energy: -106.946 flat angles P-C4'-P energy: -62.107 tors. eta vs tors. theta energy: -130.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1570.121242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.121242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.121242 (E_RNA) where: Base-Base interactions energy: -1081.735 where: short stacking energy: -480.260 Base-Backbone interact. energy: 0.807 local terms energy: -489.193954 where: bonds (distance) C4'-P energy: -87.282 bonds (distance) P-C4' energy: -90.897 flat angles C4'-P-C4' energy: -97.742 flat angles P-C4'-P energy: -73.093 tors. eta vs tors. theta energy: -140.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1478.353068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.353068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.353068 (E_RNA) where: Base-Base interactions energy: -1016.299 where: short stacking energy: -452.698 Base-Backbone interact. energy: -1.758 local terms energy: -460.296088 where: bonds (distance) C4'-P energy: -80.869 bonds (distance) P-C4' energy: -91.412 flat angles C4'-P-C4' energy: -93.436 flat angles P-C4'-P energy: -59.816 tors. eta vs tors. theta energy: -134.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1262.326789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.326789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.326789 (E_RNA) where: Base-Base interactions energy: -851.420 where: short stacking energy: -386.554 Base-Backbone interact. energy: -2.465 local terms energy: -408.442014 where: bonds (distance) C4'-P energy: -86.959 bonds (distance) P-C4' energy: -77.980 flat angles C4'-P-C4' energy: -92.762 flat angles P-C4'-P energy: -52.419 tors. eta vs tors. theta energy: -98.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1273.085970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.085970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.085970 (E_RNA) where: Base-Base interactions energy: -840.449 where: short stacking energy: -383.078 Base-Backbone interact. energy: -1.812 local terms energy: -430.824458 where: bonds (distance) C4'-P energy: -82.881 bonds (distance) P-C4' energy: -96.375 flat angles C4'-P-C4' energy: -93.250 flat angles P-C4'-P energy: -57.864 tors. eta vs tors. theta energy: -100.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1195.391784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.391784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.391784 (E_RNA) where: Base-Base interactions energy: -817.572 where: short stacking energy: -361.664 Base-Backbone interact. energy: -3.550 local terms energy: -374.269914 where: bonds (distance) C4'-P energy: -70.038 bonds (distance) P-C4' energy: -66.979 flat angles C4'-P-C4' energy: -89.369 flat angles P-C4'-P energy: -65.288 tors. eta vs tors. theta energy: -82.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -847.303088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.303088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.303088 (E_RNA) where: Base-Base interactions energy: -503.871 where: short stacking energy: -260.236 Base-Backbone interact. energy: -0.577 local terms energy: -342.854850 where: bonds (distance) C4'-P energy: -82.200 bonds (distance) P-C4' energy: -85.509 flat angles C4'-P-C4' energy: -76.531 flat angles P-C4'-P energy: -50.854 tors. eta vs tors. theta energy: -47.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -794.213366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.213366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.213366 (E_RNA) where: Base-Base interactions energy: -476.910 where: short stacking energy: -236.741 Base-Backbone interact. energy: -1.430 local terms energy: -315.873471 where: bonds (distance) C4'-P energy: -83.455 bonds (distance) P-C4' energy: -94.732 flat angles C4'-P-C4' energy: -71.621 flat angles P-C4'-P energy: -37.844 tors. eta vs tors. theta energy: -28.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -413.243151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.243151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.243151 (E_RNA) where: Base-Base interactions energy: -172.308 where: short stacking energy: -126.149 Base-Backbone interact. energy: 1.635 local terms energy: -242.569459 where: bonds (distance) C4'-P energy: -76.752 bonds (distance) P-C4' energy: -95.717 flat angles C4'-P-C4' energy: -47.565 flat angles P-C4'-P energy: -35.940 tors. eta vs tors. theta energy: 13.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -398.551904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.551904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.551904 (E_RNA) where: Base-Base interactions energy: -125.303 where: short stacking energy: -113.039 Base-Backbone interact. energy: 0.275 local terms energy: -273.524059 where: bonds (distance) C4'-P energy: -89.325 bonds (distance) P-C4' energy: -75.479 flat angles C4'-P-C4' energy: -73.876 flat angles P-C4'-P energy: -47.534 tors. eta vs tors. theta energy: 12.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1620.295315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.295315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.295315 (E_RNA) where: Base-Base interactions energy: -1110.297 where: short stacking energy: -484.206 Base-Backbone interact. energy: 1.452 local terms energy: -511.450756 where: bonds (distance) C4'-P energy: -100.267 bonds (distance) P-C4' energy: -94.647 flat angles C4'-P-C4' energy: -103.004 flat angles P-C4'-P energy: -72.248 tors. eta vs tors. theta energy: -141.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1546.201561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.201561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.201561 (E_RNA) where: Base-Base interactions energy: -1046.997 where: short stacking energy: -446.280 Base-Backbone interact. energy: -0.725 local terms energy: -498.479981 where: bonds (distance) C4'-P energy: -93.240 bonds (distance) P-C4' energy: -97.335 flat angles C4'-P-C4' energy: -100.679 flat angles P-C4'-P energy: -72.162 tors. eta vs tors. theta energy: -135.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1483.663980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.663980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.663980 (E_RNA) where: Base-Base interactions energy: -1010.139 where: short stacking energy: -445.509 Base-Backbone interact. energy: -2.329 local terms energy: -471.196225 where: bonds (distance) C4'-P energy: -82.999 bonds (distance) P-C4' energy: -80.587 flat angles C4'-P-C4' energy: -107.806 flat angles P-C4'-P energy: -61.701 tors. eta vs tors. theta energy: -138.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1287.166580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.166580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.166580 (E_RNA) where: Base-Base interactions energy: -848.088 where: short stacking energy: -386.919 Base-Backbone interact. energy: -0.590 local terms energy: -438.489017 where: bonds (distance) C4'-P energy: -81.734 bonds (distance) P-C4' energy: -79.805 flat angles C4'-P-C4' energy: -99.524 flat angles P-C4'-P energy: -67.899 tors. eta vs tors. theta energy: -109.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1275.380127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.380127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.380127 (E_RNA) where: Base-Base interactions energy: -853.625 where: short stacking energy: -393.543 Base-Backbone interact. energy: 0.816 local terms energy: -422.571312 where: bonds (distance) C4'-P energy: -78.601 bonds (distance) P-C4' energy: -94.313 flat angles C4'-P-C4' energy: -94.346 flat angles P-C4'-P energy: -53.055 tors. eta vs tors. theta energy: -102.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1160.809573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.809573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.809573 (E_RNA) where: Base-Base interactions energy: -787.918 where: short stacking energy: -328.379 Base-Backbone interact. energy: -1.371 local terms energy: -371.520680 where: bonds (distance) C4'-P energy: -85.436 bonds (distance) P-C4' energy: -80.278 flat angles C4'-P-C4' energy: -79.556 flat angles P-C4'-P energy: -52.283 tors. eta vs tors. theta energy: -73.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -804.498663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.498663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.498663 (E_RNA) where: Base-Base interactions energy: -481.898 where: short stacking energy: -249.079 Base-Backbone interact. energy: 2.982 local terms energy: -325.582942 where: bonds (distance) C4'-P energy: -73.346 bonds (distance) P-C4' energy: -78.323 flat angles C4'-P-C4' energy: -77.483 flat angles P-C4'-P energy: -59.961 tors. eta vs tors. theta energy: -36.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -784.420465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.420465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.420465 (E_RNA) where: Base-Base interactions energy: -457.998 where: short stacking energy: -244.914 Base-Backbone interact. energy: -1.756 local terms energy: -324.666011 where: bonds (distance) C4'-P energy: -79.720 bonds (distance) P-C4' energy: -83.893 flat angles C4'-P-C4' energy: -70.669 flat angles P-C4'-P energy: -44.474 tors. eta vs tors. theta energy: -45.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -460.811607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.811607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.811607 (E_RNA) where: Base-Base interactions energy: -186.233 where: short stacking energy: -132.362 Base-Backbone interact. energy: 4.607 local terms energy: -279.185621 where: bonds (distance) C4'-P energy: -77.841 bonds (distance) P-C4' energy: -95.723 flat angles C4'-P-C4' energy: -71.645 flat angles P-C4'-P energy: -41.932 tors. eta vs tors. theta energy: 7.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -407.224505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.224505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.224505 (E_RNA) where: Base-Base interactions energy: -172.433 where: short stacking energy: -105.902 Base-Backbone interact. energy: 3.541 local terms energy: -238.333007 where: bonds (distance) C4'-P energy: -77.507 bonds (distance) P-C4' energy: -69.309 flat angles C4'-P-C4' energy: -56.182 flat angles P-C4'-P energy: -45.267 tors. eta vs tors. theta energy: 9.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1661.728262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.728262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.728262 (E_RNA) where: Base-Base interactions energy: -1133.632 where: short stacking energy: -510.516 Base-Backbone interact. energy: -0.095 local terms energy: -528.001022 where: bonds (distance) C4'-P energy: -89.065 bonds (distance) P-C4' energy: -92.832 flat angles C4'-P-C4' energy: -113.549 flat angles P-C4'-P energy: -74.182 tors. eta vs tors. theta energy: -158.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1552.489975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.489975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.489975 (E_RNA) where: Base-Base interactions energy: -1037.432 where: short stacking energy: -466.308 Base-Backbone interact. energy: -4.845 local terms energy: -510.212996 where: bonds (distance) C4'-P energy: -102.453 bonds (distance) P-C4' energy: -107.557 flat angles C4'-P-C4' energy: -95.728 flat angles P-C4'-P energy: -66.584 tors. eta vs tors. theta energy: -137.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1469.162328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.162328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.162328 (E_RNA) where: Base-Base interactions energy: -991.137 where: short stacking energy: -448.125 Base-Backbone interact. energy: -1.135 local terms energy: -476.890814 where: bonds (distance) C4'-P energy: -90.887 bonds (distance) P-C4' energy: -92.403 flat angles C4'-P-C4' energy: -111.431 flat angles P-C4'-P energy: -59.395 tors. eta vs tors. theta energy: -122.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1292.098745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.098745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.098745 (E_RNA) where: Base-Base interactions energy: -849.382 where: short stacking energy: -393.944 Base-Backbone interact. energy: -2.148 local terms energy: -440.568568 where: bonds (distance) C4'-P energy: -94.360 bonds (distance) P-C4' energy: -93.347 flat angles C4'-P-C4' energy: -97.851 flat angles P-C4'-P energy: -50.083 tors. eta vs tors. theta energy: -104.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1258.701074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.701074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.701074 (E_RNA) where: Base-Base interactions energy: -819.798 where: short stacking energy: -385.907 Base-Backbone interact. energy: 0.486 local terms energy: -439.389173 where: bonds (distance) C4'-P energy: -78.720 bonds (distance) P-C4' energy: -89.558 flat angles C4'-P-C4' energy: -96.108 flat angles P-C4'-P energy: -65.652 tors. eta vs tors. theta energy: -109.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1073.711624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.711624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.711624 (E_RNA) where: Base-Base interactions energy: -682.237 where: short stacking energy: -315.540 Base-Backbone interact. energy: -1.527 local terms energy: -389.947704 where: bonds (distance) C4'-P energy: -72.935 bonds (distance) P-C4' energy: -89.558 flat angles C4'-P-C4' energy: -92.671 flat angles P-C4'-P energy: -56.792 tors. eta vs tors. theta energy: -77.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -838.352815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.352815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.352815 (E_RNA) where: Base-Base interactions energy: -509.422 where: short stacking energy: -248.415 Base-Backbone interact. energy: -0.889 local terms energy: -328.041800 where: bonds (distance) C4'-P energy: -85.982 bonds (distance) P-C4' energy: -80.176 flat angles C4'-P-C4' energy: -75.912 flat angles P-C4'-P energy: -39.225 tors. eta vs tors. theta energy: -46.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -715.849689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.849689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.849689 (E_RNA) where: Base-Base interactions energy: -405.481 where: short stacking energy: -211.931 Base-Backbone interact. energy: -0.684 local terms energy: -309.684935 where: bonds (distance) C4'-P energy: -87.993 bonds (distance) P-C4' energy: -81.111 flat angles C4'-P-C4' energy: -69.260 flat angles P-C4'-P energy: -47.114 tors. eta vs tors. theta energy: -24.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -458.161091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.161091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.161091 (E_RNA) where: Base-Base interactions energy: -187.309 where: short stacking energy: -119.806 Base-Backbone interact. energy: -1.608 local terms energy: -269.243830 where: bonds (distance) C4'-P energy: -67.363 bonds (distance) P-C4' energy: -80.603 flat angles C4'-P-C4' energy: -76.939 flat angles P-C4'-P energy: -50.356 tors. eta vs tors. theta energy: 6.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -375.695289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.695289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.695289 (E_RNA) where: Base-Base interactions energy: -115.423 where: short stacking energy: -90.938 Base-Backbone interact. energy: 3.985 local terms energy: -264.256979 where: bonds (distance) C4'-P energy: -82.942 bonds (distance) P-C4' energy: -87.165 flat angles C4'-P-C4' energy: -71.561 flat angles P-C4'-P energy: -35.942 tors. eta vs tors. theta energy: 13.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1673.554651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.554651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.554651 (E_RNA) where: Base-Base interactions energy: -1144.074 where: short stacking energy: -510.083 Base-Backbone interact. energy: -1.788 local terms energy: -527.692717 where: bonds (distance) C4'-P energy: -100.608 bonds (distance) P-C4' energy: -93.023 flat angles C4'-P-C4' energy: -102.460 flat angles P-C4'-P energy: -78.219 tors. eta vs tors. theta energy: -153.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1533.703940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.703940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.703940 (E_RNA) where: Base-Base interactions energy: -1046.930 where: short stacking energy: -445.193 Base-Backbone interact. energy: -0.560 local terms energy: -486.213701 where: bonds (distance) C4'-P energy: -84.894 bonds (distance) P-C4' energy: -101.848 flat angles C4'-P-C4' energy: -103.420 flat angles P-C4'-P energy: -68.023 tors. eta vs tors. theta energy: -128.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1471.806350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.806350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.806350 (E_RNA) where: Base-Base interactions energy: -1027.186 where: short stacking energy: -446.319 Base-Backbone interact. energy: -2.909 local terms energy: -441.711046 where: bonds (distance) C4'-P energy: -75.027 bonds (distance) P-C4' energy: -81.215 flat angles C4'-P-C4' energy: -89.288 flat angles P-C4'-P energy: -66.830 tors. eta vs tors. theta energy: -129.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1300.624740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.624740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.624740 (E_RNA) where: Base-Base interactions energy: -850.196 where: short stacking energy: -384.972 Base-Backbone interact. energy: 0.322 local terms energy: -450.751066 where: bonds (distance) C4'-P energy: -86.533 bonds (distance) P-C4' energy: -99.475 flat angles C4'-P-C4' energy: -91.738 flat angles P-C4'-P energy: -70.654 tors. eta vs tors. theta energy: -102.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1274.362866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.362866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.362866 (E_RNA) where: Base-Base interactions energy: -848.999 where: short stacking energy: -383.150 Base-Backbone interact. energy: -1.516 local terms energy: -423.847010 where: bonds (distance) C4'-P energy: -82.178 bonds (distance) P-C4' energy: -90.383 flat angles C4'-P-C4' energy: -95.953 flat angles P-C4'-P energy: -54.950 tors. eta vs tors. theta energy: -100.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1096.074386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.074386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.074386 (E_RNA) where: Base-Base interactions energy: -696.596 where: short stacking energy: -338.699 Base-Backbone interact. energy: -2.490 local terms energy: -396.988079 where: bonds (distance) C4'-P energy: -79.576 bonds (distance) P-C4' energy: -85.880 flat angles C4'-P-C4' energy: -85.707 flat angles P-C4'-P energy: -61.025 tors. eta vs tors. theta energy: -84.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -878.804256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.804256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.804256 (E_RNA) where: Base-Base interactions energy: -520.327 where: short stacking energy: -258.239 Base-Backbone interact. energy: -1.620 local terms energy: -356.857773 where: bonds (distance) C4'-P energy: -76.599 bonds (distance) P-C4' energy: -76.055 flat angles C4'-P-C4' energy: -88.764 flat angles P-C4'-P energy: -60.123 tors. eta vs tors. theta energy: -55.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -732.972938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.972938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.972938 (E_RNA) where: Base-Base interactions energy: -421.436 where: short stacking energy: -222.395 Base-Backbone interact. energy: -0.708 local terms energy: -310.829633 where: bonds (distance) C4'-P energy: -84.309 bonds (distance) P-C4' energy: -85.229 flat angles C4'-P-C4' energy: -77.204 flat angles P-C4'-P energy: -34.788 tors. eta vs tors. theta energy: -29.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -401.894824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.894824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.894824 (E_RNA) where: Base-Base interactions energy: -161.291 where: short stacking energy: -106.380 Base-Backbone interact. energy: 2.323 local terms energy: -242.926771 where: bonds (distance) C4'-P energy: -66.363 bonds (distance) P-C4' energy: -81.406 flat angles C4'-P-C4' energy: -58.136 flat angles P-C4'-P energy: -46.592 tors. eta vs tors. theta energy: 9.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -402.148744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.148744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.148744 (E_RNA) where: Base-Base interactions energy: -153.600 where: short stacking energy: -113.609 Base-Backbone interact. energy: -1.801 local terms energy: -246.747720 where: bonds (distance) C4'-P energy: -62.803 bonds (distance) P-C4' energy: -96.184 flat angles C4'-P-C4' energy: -46.176 flat angles P-C4'-P energy: -49.122 tors. eta vs tors. theta energy: 7.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1668.742603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.742603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.742603 (E_RNA) where: Base-Base interactions energy: -1151.106 where: short stacking energy: -510.039 Base-Backbone interact. energy: 2.275 local terms energy: -519.911464 where: bonds (distance) C4'-P energy: -91.948 bonds (distance) P-C4' energy: -94.397 flat angles C4'-P-C4' energy: -110.035 flat angles P-C4'-P energy: -69.877 tors. eta vs tors. theta energy: -153.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1526.587305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.587305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.587305 (E_RNA) where: Base-Base interactions energy: -1047.819 where: short stacking energy: -475.008 Base-Backbone interact. energy: -0.992 local terms energy: -477.776203 where: bonds (distance) C4'-P energy: -91.217 bonds (distance) P-C4' energy: -94.249 flat angles C4'-P-C4' energy: -98.684 flat angles P-C4'-P energy: -65.929 tors. eta vs tors. theta energy: -127.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1482.790815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.790815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.790815 (E_RNA) where: Base-Base interactions energy: -1008.840 where: short stacking energy: -429.853 Base-Backbone interact. energy: -0.662 local terms energy: -473.288549 where: bonds (distance) C4'-P energy: -95.800 bonds (distance) P-C4' energy: -99.163 flat angles C4'-P-C4' energy: -101.653 flat angles P-C4'-P energy: -57.467 tors. eta vs tors. theta energy: -119.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -1327.737737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.737737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.737737 (E_RNA) where: Base-Base interactions energy: -859.013 where: short stacking energy: -385.458 Base-Backbone interact. energy: -0.012 local terms energy: -468.712085 where: bonds (distance) C4'-P energy: -100.429 bonds (distance) P-C4' energy: -96.566 flat angles C4'-P-C4' energy: -93.146 flat angles P-C4'-P energy: -73.137 tors. eta vs tors. theta energy: -105.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1224.157994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.157994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.157994 (E_RNA) where: Base-Base interactions energy: -816.416 where: short stacking energy: -368.128 Base-Backbone interact. energy: -0.457 local terms energy: -407.284700 where: bonds (distance) C4'-P energy: -81.184 bonds (distance) P-C4' energy: -89.135 flat angles C4'-P-C4' energy: -90.968 flat angles P-C4'-P energy: -60.723 tors. eta vs tors. theta energy: -85.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1106.074855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.074855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.074855 (E_RNA) where: Base-Base interactions energy: -712.765 where: short stacking energy: -345.144 Base-Backbone interact. energy: -2.934 local terms energy: -390.375662 where: bonds (distance) C4'-P energy: -82.235 bonds (distance) P-C4' energy: -79.263 flat angles C4'-P-C4' energy: -93.125 flat angles P-C4'-P energy: -61.044 tors. eta vs tors. theta energy: -74.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -895.559253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.559253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.559253 (E_RNA) where: Base-Base interactions energy: -573.645 where: short stacking energy: -256.583 Base-Backbone interact. energy: 0.025 local terms energy: -321.939164 where: bonds (distance) C4'-P energy: -77.509 bonds (distance) P-C4' energy: -88.223 flat angles C4'-P-C4' energy: -69.677 flat angles P-C4'-P energy: -48.567 tors. eta vs tors. theta energy: -37.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -685.603133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.603133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.603133 (E_RNA) where: Base-Base interactions energy: -376.879 where: short stacking energy: -210.888 Base-Backbone interact. energy: -2.460 local terms energy: -306.264282 where: bonds (distance) C4'-P energy: -67.723 bonds (distance) P-C4' energy: -72.216 flat angles C4'-P-C4' energy: -80.808 flat angles P-C4'-P energy: -49.368 tors. eta vs tors. theta energy: -36.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -412.661437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.661437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.661437 (E_RNA) where: Base-Base interactions energy: -146.380 where: short stacking energy: -140.846 Base-Backbone interact. energy: -1.759 local terms energy: -264.522507 where: bonds (distance) C4'-P energy: -54.589 bonds (distance) P-C4' energy: -85.186 flat angles C4'-P-C4' energy: -71.233 flat angles P-C4'-P energy: -56.845 tors. eta vs tors. theta energy: 3.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -372.893779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.893779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.893779 (E_RNA) where: Base-Base interactions energy: -126.486 where: short stacking energy: -107.827 Base-Backbone interact. energy: 7.985 local terms energy: -254.393543 where: bonds (distance) C4'-P energy: -66.369 bonds (distance) P-C4' energy: -94.570 flat angles C4'-P-C4' energy: -65.879 flat angles P-C4'-P energy: -39.577 tors. eta vs tors. theta energy: 12.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1667.416474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.416474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.416474 (E_RNA) where: Base-Base interactions energy: -1129.556 where: short stacking energy: -516.639 Base-Backbone interact. energy: 0.004 local terms energy: -537.864480 where: bonds (distance) C4'-P energy: -87.405 bonds (distance) P-C4' energy: -96.382 flat angles C4'-P-C4' energy: -116.797 flat angles P-C4'-P energy: -82.059 tors. eta vs tors. theta energy: -155.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1536.128027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.128027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.128027 (E_RNA) where: Base-Base interactions energy: -1038.459 where: short stacking energy: -470.483 Base-Backbone interact. energy: -0.244 local terms energy: -497.424911 where: bonds (distance) C4'-P energy: -97.282 bonds (distance) P-C4' energy: -89.139 flat angles C4'-P-C4' energy: -104.999 flat angles P-C4'-P energy: -70.420 tors. eta vs tors. theta energy: -135.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1472.110497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.110497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.110497 (E_RNA) where: Base-Base interactions energy: -1022.063 where: short stacking energy: -441.854 Base-Backbone interact. energy: 1.148 local terms energy: -451.194657 where: bonds (distance) C4'-P energy: -75.994 bonds (distance) P-C4' energy: -100.071 flat angles C4'-P-C4' energy: -94.847 flat angles P-C4'-P energy: -61.992 tors. eta vs tors. theta energy: -118.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1353.210408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.210408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.210408 (E_RNA) where: Base-Base interactions energy: -906.200 where: short stacking energy: -432.287 Base-Backbone interact. energy: -1.379 local terms energy: -445.631370 where: bonds (distance) C4'-P energy: -73.321 bonds (distance) P-C4' energy: -95.142 flat angles C4'-P-C4' energy: -94.417 flat angles P-C4'-P energy: -64.597 tors. eta vs tors. theta energy: -118.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -1259.950206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.950206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.950206 (E_RNA) where: Base-Base interactions energy: -843.173 where: short stacking energy: -392.232 Base-Backbone interact. energy: -0.723 local terms energy: -416.053512 where: bonds (distance) C4'-P energy: -77.390 bonds (distance) P-C4' energy: -88.103 flat angles C4'-P-C4' energy: -94.284 flat angles P-C4'-P energy: -60.151 tors. eta vs tors. theta energy: -96.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1133.187126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.187126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.187126 (E_RNA) where: Base-Base interactions energy: -721.360 where: short stacking energy: -325.653 Base-Backbone interact. energy: 0.593 local terms energy: -412.420160 where: bonds (distance) C4'-P energy: -97.231 bonds (distance) P-C4' energy: -89.560 flat angles C4'-P-C4' energy: -91.636 flat angles P-C4'-P energy: -53.353 tors. eta vs tors. theta energy: -80.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -903.244361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.244361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.244361 (E_RNA) where: Base-Base interactions energy: -552.090 where: short stacking energy: -270.346 Base-Backbone interact. energy: 0.655 local terms energy: -351.809351 where: bonds (distance) C4'-P energy: -73.775 bonds (distance) P-C4' energy: -86.983 flat angles C4'-P-C4' energy: -74.477 flat angles P-C4'-P energy: -48.163 tors. eta vs tors. theta energy: -68.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -633.802847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.802847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.802847 (E_RNA) where: Base-Base interactions energy: -349.399 where: short stacking energy: -180.995 Base-Backbone interact. energy: 6.539 local terms energy: -290.942750 where: bonds (distance) C4'-P energy: -74.479 bonds (distance) P-C4' energy: -85.865 flat angles C4'-P-C4' energy: -78.366 flat angles P-C4'-P energy: -38.558 tors. eta vs tors. theta energy: -13.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -441.351394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.351394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.351394 (E_RNA) where: Base-Base interactions energy: -147.609 where: short stacking energy: -137.106 Base-Backbone interact. energy: -3.099 local terms energy: -290.643176 where: bonds (distance) C4'-P energy: -79.157 bonds (distance) P-C4' energy: -85.693 flat angles C4'-P-C4' energy: -77.888 flat angles P-C4'-P energy: -34.490 tors. eta vs tors. theta energy: -13.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -367.103579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.103579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.103579 (E_RNA) where: Base-Base interactions energy: -132.028 where: short stacking energy: -107.691 Base-Backbone interact. energy: -0.693 local terms energy: -234.383185 where: bonds (distance) C4'-P energy: -80.596 bonds (distance) P-C4' energy: -82.444 flat angles C4'-P-C4' energy: -52.442 flat angles P-C4'-P energy: -36.133 tors. eta vs tors. theta energy: 17.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1677.236954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.236954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.236954 (E_RNA) where: Base-Base interactions energy: -1167.658 where: short stacking energy: -497.956 Base-Backbone interact. energy: 0.878 local terms energy: -510.456040 where: bonds (distance) C4'-P energy: -76.476 bonds (distance) P-C4' energy: -109.374 flat angles C4'-P-C4' energy: -107.302 flat angles P-C4'-P energy: -69.547 tors. eta vs tors. theta energy: -147.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1538.330097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.330097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.330097 (E_RNA) where: Base-Base interactions energy: -1049.122 where: short stacking energy: -469.030 Base-Backbone interact. energy: -2.225 local terms energy: -486.983362 where: bonds (distance) C4'-P energy: -81.827 bonds (distance) P-C4' energy: -89.095 flat angles C4'-P-C4' energy: -107.499 flat angles P-C4'-P energy: -73.917 tors. eta vs tors. theta energy: -134.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1479.535679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.535679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.535679 (E_RNA) where: Base-Base interactions energy: -1015.956 where: short stacking energy: -443.337 Base-Backbone interact. energy: -0.689 local terms energy: -462.890793 where: bonds (distance) C4'-P energy: -84.734 bonds (distance) P-C4' energy: -84.602 flat angles C4'-P-C4' energy: -108.959 flat angles P-C4'-P energy: -55.356 tors. eta vs tors. theta energy: -129.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1346.622033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.622033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.622033 (E_RNA) where: Base-Base interactions energy: -900.860 where: short stacking energy: -430.234 Base-Backbone interact. energy: 0.892 local terms energy: -446.654393 where: bonds (distance) C4'-P energy: -80.795 bonds (distance) P-C4' energy: -68.822 flat angles C4'-P-C4' energy: -108.381 flat angles P-C4'-P energy: -68.333 tors. eta vs tors. theta energy: -120.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1223.680367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.680367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.680367 (E_RNA) where: Base-Base interactions energy: -813.835 where: short stacking energy: -355.144 Base-Backbone interact. energy: -3.404 local terms energy: -406.441312 where: bonds (distance) C4'-P energy: -83.484 bonds (distance) P-C4' energy: -77.534 flat angles C4'-P-C4' energy: -90.140 flat angles P-C4'-P energy: -56.425 tors. eta vs tors. theta energy: -98.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1123.274877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.274877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.274877 (E_RNA) where: Base-Base interactions energy: -725.889 where: short stacking energy: -334.455 Base-Backbone interact. energy: -3.052 local terms energy: -394.333906 where: bonds (distance) C4'-P energy: -79.439 bonds (distance) P-C4' energy: -88.585 flat angles C4'-P-C4' energy: -86.618 flat angles P-C4'-P energy: -55.297 tors. eta vs tors. theta energy: -84.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -891.020347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.020347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.020347 (E_RNA) where: Base-Base interactions energy: -553.724 where: short stacking energy: -250.738 Base-Backbone interact. energy: 2.660 local terms energy: -339.956707 where: bonds (distance) C4'-P energy: -71.923 bonds (distance) P-C4' energy: -88.452 flat angles C4'-P-C4' energy: -85.101 flat angles P-C4'-P energy: -47.656 tors. eta vs tors. theta energy: -46.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -658.366541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.366541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.366541 (E_RNA) where: Base-Base interactions energy: -366.272 where: short stacking energy: -180.960 Base-Backbone interact. energy: -2.386 local terms energy: -289.708042 where: bonds (distance) C4'-P energy: -71.298 bonds (distance) P-C4' energy: -75.486 flat angles C4'-P-C4' energy: -64.339 flat angles P-C4'-P energy: -59.872 tors. eta vs tors. theta energy: -18.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -426.535950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.535950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.535950 (E_RNA) where: Base-Base interactions energy: -187.281 where: short stacking energy: -98.554 Base-Backbone interact. energy: -1.693 local terms energy: -237.562376 where: bonds (distance) C4'-P energy: -78.611 bonds (distance) P-C4' energy: -81.251 flat angles C4'-P-C4' energy: -61.553 flat angles P-C4'-P energy: -35.578 tors. eta vs tors. theta energy: 19.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -401.931203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.931203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.931203 (E_RNA) where: Base-Base interactions energy: -178.084 where: short stacking energy: -135.551 Base-Backbone interact. energy: 2.287 local terms energy: -226.134642 where: bonds (distance) C4'-P energy: -51.213 bonds (distance) P-C4' energy: -69.520 flat angles C4'-P-C4' energy: -74.929 flat angles P-C4'-P energy: -39.230 tors. eta vs tors. theta energy: 8.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1657.981995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.981995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.981995 (E_RNA) where: Base-Base interactions energy: -1148.010 where: short stacking energy: -492.690 Base-Backbone interact. energy: -1.315 local terms energy: -508.657394 where: bonds (distance) C4'-P energy: -93.974 bonds (distance) P-C4' energy: -93.915 flat angles C4'-P-C4' energy: -112.409 flat angles P-C4'-P energy: -64.315 tors. eta vs tors. theta energy: -144.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1545.043606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.043606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.043606 (E_RNA) where: Base-Base interactions energy: -1050.634 where: short stacking energy: -456.820 Base-Backbone interact. energy: -3.116 local terms energy: -491.293808 where: bonds (distance) C4'-P energy: -95.461 bonds (distance) P-C4' energy: -87.030 flat angles C4'-P-C4' energy: -92.649 flat angles P-C4'-P energy: -71.815 tors. eta vs tors. theta energy: -144.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1445.794045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.794045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.794045 (E_RNA) where: Base-Base interactions energy: -967.682 where: short stacking energy: -406.301 Base-Backbone interact. energy: -3.959 local terms energy: -474.153395 where: bonds (distance) C4'-P energy: -91.922 bonds (distance) P-C4' energy: -92.969 flat angles C4'-P-C4' energy: -106.135 flat angles P-C4'-P energy: -64.322 tors. eta vs tors. theta energy: -118.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1310.407536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.407536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.407536 (E_RNA) where: Base-Base interactions energy: -865.329 where: short stacking energy: -416.798 Base-Backbone interact. energy: -2.740 local terms energy: -442.338687 where: bonds (distance) C4'-P energy: -86.349 bonds (distance) P-C4' energy: -79.072 flat angles C4'-P-C4' energy: -96.790 flat angles P-C4'-P energy: -56.580 tors. eta vs tors. theta energy: -123.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1304.446592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.446592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.446592 (E_RNA) where: Base-Base interactions energy: -875.670 where: short stacking energy: -412.782 Base-Backbone interact. energy: -1.079 local terms energy: -427.698295 where: bonds (distance) C4'-P energy: -83.155 bonds (distance) P-C4' energy: -82.851 flat angles C4'-P-C4' energy: -89.610 flat angles P-C4'-P energy: -72.061 tors. eta vs tors. theta energy: -100.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1148.582524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.582524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.582524 (E_RNA) where: Base-Base interactions energy: -740.896 where: short stacking energy: -340.427 Base-Backbone interact. energy: 2.467 local terms energy: -410.152828 where: bonds (distance) C4'-P energy: -91.642 bonds (distance) P-C4' energy: -80.491 flat angles C4'-P-C4' energy: -82.931 flat angles P-C4'-P energy: -63.233 tors. eta vs tors. theta energy: -91.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -919.631863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.631863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.631863 (E_RNA) where: Base-Base interactions energy: -562.043 where: short stacking energy: -277.833 Base-Backbone interact. energy: -2.720 local terms energy: -354.868177 where: bonds (distance) C4'-P energy: -81.808 bonds (distance) P-C4' energy: -86.597 flat angles C4'-P-C4' energy: -85.905 flat angles P-C4'-P energy: -45.435 tors. eta vs tors. theta energy: -55.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -711.735108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.735108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.735108 (E_RNA) where: Base-Base interactions energy: -387.017 where: short stacking energy: -187.585 Base-Backbone interact. energy: 0.181 local terms energy: -324.899588 where: bonds (distance) C4'-P energy: -74.066 bonds (distance) P-C4' energy: -82.873 flat angles C4'-P-C4' energy: -76.492 flat angles P-C4'-P energy: -59.631 tors. eta vs tors. theta energy: -31.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -409.847675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.847675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.847675 (E_RNA) where: Base-Base interactions energy: -162.211 where: short stacking energy: -136.165 Base-Backbone interact. energy: -1.731 local terms energy: -245.906345 where: bonds (distance) C4'-P energy: -72.712 bonds (distance) P-C4' energy: -94.079 flat angles C4'-P-C4' energy: -49.619 flat angles P-C4'-P energy: -25.566 tors. eta vs tors. theta energy: -3.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -383.782311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.782311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.782311 (E_RNA) where: Base-Base interactions energy: -178.240 where: short stacking energy: -112.514 Base-Backbone interact. energy: 4.107 local terms energy: -209.649743 where: bonds (distance) C4'-P energy: -77.604 bonds (distance) P-C4' energy: -72.665 flat angles C4'-P-C4' energy: -53.492 flat angles P-C4'-P energy: -36.211 tors. eta vs tors. theta energy: 30.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1668.582732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.582732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.582732 (E_RNA) where: Base-Base interactions energy: -1140.397 where: short stacking energy: -511.253 Base-Backbone interact. energy: -0.382 local terms energy: -527.803081 where: bonds (distance) C4'-P energy: -92.149 bonds (distance) P-C4' energy: -91.881 flat angles C4'-P-C4' energy: -113.135 flat angles P-C4'-P energy: -77.161 tors. eta vs tors. theta energy: -153.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1536.091550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.091550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.091550 (E_RNA) where: Base-Base interactions energy: -1054.966 where: short stacking energy: -465.562 Base-Backbone interact. energy: -1.386 local terms energy: -479.739446 where: bonds (distance) C4'-P energy: -94.160 bonds (distance) P-C4' energy: -82.925 flat angles C4'-P-C4' energy: -119.167 flat angles P-C4'-P energy: -60.073 tors. eta vs tors. theta energy: -123.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1432.353434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.353434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.353434 (E_RNA) where: Base-Base interactions energy: -988.276 where: short stacking energy: -419.834 Base-Backbone interact. energy: -2.132 local terms energy: -441.945452 where: bonds (distance) C4'-P energy: -75.360 bonds (distance) P-C4' energy: -91.375 flat angles C4'-P-C4' energy: -93.165 flat angles P-C4'-P energy: -63.782 tors. eta vs tors. theta energy: -118.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1329.454477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.454477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.454477 (E_RNA) where: Base-Base interactions energy: -868.378 where: short stacking energy: -416.123 Base-Backbone interact. energy: 2.644 local terms energy: -463.720840 where: bonds (distance) C4'-P energy: -90.110 bonds (distance) P-C4' energy: -105.194 flat angles C4'-P-C4' energy: -96.961 flat angles P-C4'-P energy: -58.005 tors. eta vs tors. theta energy: -113.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1285.931446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.931446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.931446 (E_RNA) where: Base-Base interactions energy: -853.140 where: short stacking energy: -378.428 Base-Backbone interact. energy: 0.426 local terms energy: -433.217523 where: bonds (distance) C4'-P energy: -81.475 bonds (distance) P-C4' energy: -91.965 flat angles C4'-P-C4' energy: -95.835 flat angles P-C4'-P energy: -59.706 tors. eta vs tors. theta energy: -104.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1116.017134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.017134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.017134 (E_RNA) where: Base-Base interactions energy: -731.625 where: short stacking energy: -336.441 Base-Backbone interact. energy: -1.846 local terms energy: -382.546582 where: bonds (distance) C4'-P energy: -75.880 bonds (distance) P-C4' energy: -85.043 flat angles C4'-P-C4' energy: -81.329 flat angles P-C4'-P energy: -59.939 tors. eta vs tors. theta energy: -80.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -900.668923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.668923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.668923 (E_RNA) where: Base-Base interactions energy: -548.769 where: short stacking energy: -262.319 Base-Backbone interact. energy: -2.781 local terms energy: -349.118254 where: bonds (distance) C4'-P energy: -83.867 bonds (distance) P-C4' energy: -90.636 flat angles C4'-P-C4' energy: -86.042 flat angles P-C4'-P energy: -39.373 tors. eta vs tors. theta energy: -49.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -702.255624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.255624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.255624 (E_RNA) where: Base-Base interactions energy: -390.609 where: short stacking energy: -201.060 Base-Backbone interact. energy: -1.767 local terms energy: -309.879338 where: bonds (distance) C4'-P energy: -76.542 bonds (distance) P-C4' energy: -76.009 flat angles C4'-P-C4' energy: -75.999 flat angles P-C4'-P energy: -50.170 tors. eta vs tors. theta energy: -31.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -446.188240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.188240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.188240 (E_RNA) where: Base-Base interactions energy: -197.245 where: short stacking energy: -114.352 Base-Backbone interact. energy: 0.940 local terms energy: -249.883735 where: bonds (distance) C4'-P energy: -69.411 bonds (distance) P-C4' energy: -81.932 flat angles C4'-P-C4' energy: -71.368 flat angles P-C4'-P energy: -33.677 tors. eta vs tors. theta energy: 6.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -441.153988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.153988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.153988 (E_RNA) where: Base-Base interactions energy: -204.218 where: short stacking energy: -122.650 Base-Backbone interact. energy: -2.106 local terms energy: -234.830349 where: bonds (distance) C4'-P energy: -65.451 bonds (distance) P-C4' energy: -95.628 flat angles C4'-P-C4' energy: -56.786 flat angles P-C4'-P energy: -36.374 tors. eta vs tors. theta energy: 19.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1642.519293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.519293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.519293 (E_RNA) where: Base-Base interactions energy: -1136.966 where: short stacking energy: -491.368 Base-Backbone interact. energy: -1.563 local terms energy: -503.990125 where: bonds (distance) C4'-P energy: -87.389 bonds (distance) P-C4' energy: -94.340 flat angles C4'-P-C4' energy: -107.981 flat angles P-C4'-P energy: -64.742 tors. eta vs tors. theta energy: -149.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1529.562317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.562317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.562317 (E_RNA) where: Base-Base interactions energy: -1049.795 where: short stacking energy: -459.374 Base-Backbone interact. energy: -2.189 local terms energy: -477.578698 where: bonds (distance) C4'-P energy: -84.800 bonds (distance) P-C4' energy: -93.273 flat angles C4'-P-C4' energy: -100.685 flat angles P-C4'-P energy: -72.713 tors. eta vs tors. theta energy: -126.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1480.234311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.234311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.234311 (E_RNA) where: Base-Base interactions energy: -1010.795 where: short stacking energy: -455.102 Base-Backbone interact. energy: -1.838 local terms energy: -467.601112 where: bonds (distance) C4'-P energy: -81.086 bonds (distance) P-C4' energy: -88.072 flat angles C4'-P-C4' energy: -103.788 flat angles P-C4'-P energy: -71.699 tors. eta vs tors. theta energy: -122.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1316.697390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.697390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.697390 (E_RNA) where: Base-Base interactions energy: -875.187 where: short stacking energy: -403.249 Base-Backbone interact. energy: -0.619 local terms energy: -440.891321 where: bonds (distance) C4'-P energy: -98.396 bonds (distance) P-C4' energy: -74.961 flat angles C4'-P-C4' energy: -90.789 flat angles P-C4'-P energy: -59.991 tors. eta vs tors. theta energy: -116.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1310.847874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.847874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.847874 (E_RNA) where: Base-Base interactions energy: -864.257 where: short stacking energy: -397.930 Base-Backbone interact. energy: -1.648 local terms energy: -444.942797 where: bonds (distance) C4'-P energy: -88.414 bonds (distance) P-C4' energy: -88.044 flat angles C4'-P-C4' energy: -86.261 flat angles P-C4'-P energy: -71.595 tors. eta vs tors. theta energy: -110.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1099.420215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.420215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.420215 (E_RNA) where: Base-Base interactions energy: -714.630 where: short stacking energy: -337.748 Base-Backbone interact. energy: 1.860 local terms energy: -386.650027 where: bonds (distance) C4'-P energy: -84.217 bonds (distance) P-C4' energy: -83.321 flat angles C4'-P-C4' energy: -79.041 flat angles P-C4'-P energy: -59.898 tors. eta vs tors. theta energy: -80.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -886.065752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.065752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.065752 (E_RNA) where: Base-Base interactions energy: -550.493 where: short stacking energy: -228.514 Base-Backbone interact. energy: -2.171 local terms energy: -333.402450 where: bonds (distance) C4'-P energy: -82.000 bonds (distance) P-C4' energy: -86.818 flat angles C4'-P-C4' energy: -87.462 flat angles P-C4'-P energy: -56.460 tors. eta vs tors. theta energy: -20.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -705.371922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.371922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.371922 (E_RNA) where: Base-Base interactions energy: -408.105 where: short stacking energy: -206.108 Base-Backbone interact. energy: 0.203 local terms energy: -297.469454 where: bonds (distance) C4'-P energy: -76.675 bonds (distance) P-C4' energy: -68.303 flat angles C4'-P-C4' energy: -84.056 flat angles P-C4'-P energy: -49.413 tors. eta vs tors. theta energy: -19.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -494.248777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.248777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.248777 (E_RNA) where: Base-Base interactions energy: -236.675 where: short stacking energy: -164.596 Base-Backbone interact. energy: -2.534 local terms energy: -255.039200 where: bonds (distance) C4'-P energy: -84.752 bonds (distance) P-C4' energy: -63.432 flat angles C4'-P-C4' energy: -62.166 flat angles P-C4'-P energy: -33.492 tors. eta vs tors. theta energy: -11.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -463.998331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.998331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.998331 (E_RNA) where: Base-Base interactions energy: -197.773 where: short stacking energy: -114.559 Base-Backbone interact. energy: 1.959 local terms energy: -268.184799 where: bonds (distance) C4'-P energy: -77.599 bonds (distance) P-C4' energy: -76.946 flat angles C4'-P-C4' energy: -80.187 flat angles P-C4'-P energy: -34.465 tors. eta vs tors. theta energy: 1.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1642.369045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.369045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.369045 (E_RNA) where: Base-Base interactions energy: -1152.320 where: short stacking energy: -491.050 Base-Backbone interact. energy: -1.401 local terms energy: -488.647416 where: bonds (distance) C4'-P energy: -87.810 bonds (distance) P-C4' energy: -94.248 flat angles C4'-P-C4' energy: -93.387 flat angles P-C4'-P energy: -71.682 tors. eta vs tors. theta energy: -141.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1573.662276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.662276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.662276 (E_RNA) where: Base-Base interactions energy: -1076.806 where: short stacking energy: -464.812 Base-Backbone interact. energy: -1.113 local terms energy: -495.743922 where: bonds (distance) C4'-P energy: -91.141 bonds (distance) P-C4' energy: -95.921 flat angles C4'-P-C4' energy: -106.054 flat angles P-C4'-P energy: -64.833 tors. eta vs tors. theta energy: -137.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1455.160477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.160477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.160477 (E_RNA) where: Base-Base interactions energy: -979.879 where: short stacking energy: -423.630 Base-Backbone interact. energy: -2.044 local terms energy: -473.237887 where: bonds (distance) C4'-P energy: -87.120 bonds (distance) P-C4' energy: -93.135 flat angles C4'-P-C4' energy: -99.564 flat angles P-C4'-P energy: -72.607 tors. eta vs tors. theta energy: -120.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1349.471896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.471896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.471896 (E_RNA) where: Base-Base interactions energy: -905.153 where: short stacking energy: -405.188 Base-Backbone interact. energy: -0.526 local terms energy: -443.792642 where: bonds (distance) C4'-P energy: -83.566 bonds (distance) P-C4' energy: -91.444 flat angles C4'-P-C4' energy: -97.523 flat angles P-C4'-P energy: -55.362 tors. eta vs tors. theta energy: -115.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1260.697344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.697344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.697344 (E_RNA) where: Base-Base interactions energy: -830.739 where: short stacking energy: -364.266 Base-Backbone interact. energy: -0.264 local terms energy: -429.693891 where: bonds (distance) C4'-P energy: -83.620 bonds (distance) P-C4' energy: -83.548 flat angles C4'-P-C4' energy: -108.095 flat angles P-C4'-P energy: -50.486 tors. eta vs tors. theta energy: -103.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1146.230152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.230152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.230152 (E_RNA) where: Base-Base interactions energy: -756.810 where: short stacking energy: -337.245 Base-Backbone interact. energy: 0.589 local terms energy: -390.008921 where: bonds (distance) C4'-P energy: -86.275 bonds (distance) P-C4' energy: -89.803 flat angles C4'-P-C4' energy: -73.756 flat angles P-C4'-P energy: -54.480 tors. eta vs tors. theta energy: -85.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -896.567406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.567406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.567406 (E_RNA) where: Base-Base interactions energy: -552.996 where: short stacking energy: -259.453 Base-Backbone interact. energy: -3.743 local terms energy: -339.827978 where: bonds (distance) C4'-P energy: -75.246 bonds (distance) P-C4' energy: -87.690 flat angles C4'-P-C4' energy: -70.429 flat angles P-C4'-P energy: -57.906 tors. eta vs tors. theta energy: -48.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -714.979083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.979083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.979083 (E_RNA) where: Base-Base interactions energy: -402.549 where: short stacking energy: -186.436 Base-Backbone interact. energy: -4.189 local terms energy: -308.240473 where: bonds (distance) C4'-P energy: -72.405 bonds (distance) P-C4' energy: -92.447 flat angles C4'-P-C4' energy: -79.325 flat angles P-C4'-P energy: -47.542 tors. eta vs tors. theta energy: -16.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -497.503804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.503804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.503804 (E_RNA) where: Base-Base interactions energy: -221.289 where: short stacking energy: -149.491 Base-Backbone interact. energy: -0.778 local terms energy: -275.437282 where: bonds (distance) C4'-P energy: -85.344 bonds (distance) P-C4' energy: -91.201 flat angles C4'-P-C4' energy: -59.629 flat angles P-C4'-P energy: -26.951 tors. eta vs tors. theta energy: -12.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -480.898970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.898970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.898970 (E_RNA) where: Base-Base interactions energy: -230.006 where: short stacking energy: -146.341 Base-Backbone interact. energy: 3.585 local terms energy: -254.478249 where: bonds (distance) C4'-P energy: -74.108 bonds (distance) P-C4' energy: -74.151 flat angles C4'-P-C4' energy: -79.384 flat angles P-C4'-P energy: -30.143 tors. eta vs tors. theta energy: 3.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1681.082220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.082220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.082220 (E_RNA) where: Base-Base interactions energy: -1165.343 where: short stacking energy: -500.764 Base-Backbone interact. energy: -1.635 local terms energy: -514.104626 where: bonds (distance) C4'-P energy: -86.248 bonds (distance) P-C4' energy: -92.995 flat angles C4'-P-C4' energy: -112.281 flat angles P-C4'-P energy: -73.302 tors. eta vs tors. theta energy: -149.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1594.951352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.951352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.951352 (E_RNA) where: Base-Base interactions energy: -1101.352 where: short stacking energy: -478.978 Base-Backbone interact. energy: -0.933 local terms energy: -492.665801 where: bonds (distance) C4'-P energy: -94.892 bonds (distance) P-C4' energy: -89.430 flat angles C4'-P-C4' energy: -103.962 flat angles P-C4'-P energy: -61.423 tors. eta vs tors. theta energy: -142.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1459.899735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.899735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.899735 (E_RNA) where: Base-Base interactions energy: -985.948 where: short stacking energy: -414.961 Base-Backbone interact. energy: -1.276 local terms energy: -472.675304 where: bonds (distance) C4'-P energy: -95.997 bonds (distance) P-C4' energy: -86.801 flat angles C4'-P-C4' energy: -96.917 flat angles P-C4'-P energy: -65.192 tors. eta vs tors. theta energy: -127.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1412.850945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.850945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.850945 (E_RNA) where: Base-Base interactions energy: -958.061 where: short stacking energy: -424.317 Base-Backbone interact. energy: -3.034 local terms energy: -451.756154 where: bonds (distance) C4'-P energy: -89.034 bonds (distance) P-C4' energy: -88.120 flat angles C4'-P-C4' energy: -95.441 flat angles P-C4'-P energy: -65.410 tors. eta vs tors. theta energy: -113.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1243.495298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.495298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.495298 (E_RNA) where: Base-Base interactions energy: -816.298 where: short stacking energy: -351.689 Base-Backbone interact. energy: 0.819 local terms energy: -428.016668 where: bonds (distance) C4'-P energy: -76.728 bonds (distance) P-C4' energy: -89.011 flat angles C4'-P-C4' energy: -103.502 flat angles P-C4'-P energy: -62.792 tors. eta vs tors. theta energy: -95.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1137.276948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.276948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.276948 (E_RNA) where: Base-Base interactions energy: -764.609 where: short stacking energy: -338.061 Base-Backbone interact. energy: -2.966 local terms energy: -369.702166 where: bonds (distance) C4'-P energy: -72.885 bonds (distance) P-C4' energy: -75.928 flat angles C4'-P-C4' energy: -92.777 flat angles P-C4'-P energy: -48.187 tors. eta vs tors. theta energy: -79.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -895.004672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.004672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.004672 (E_RNA) where: Base-Base interactions energy: -553.463 where: short stacking energy: -273.188 Base-Backbone interact. energy: 0.248 local terms energy: -341.789432 where: bonds (distance) C4'-P energy: -74.327 bonds (distance) P-C4' energy: -87.368 flat angles C4'-P-C4' energy: -80.287 flat angles P-C4'-P energy: -55.124 tors. eta vs tors. theta energy: -44.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -716.271640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.271640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.271640 (E_RNA) where: Base-Base interactions energy: -423.541 where: short stacking energy: -209.012 Base-Backbone interact. energy: 0.098 local terms energy: -292.828515 where: bonds (distance) C4'-P energy: -60.624 bonds (distance) P-C4' energy: -77.022 flat angles C4'-P-C4' energy: -93.120 flat angles P-C4'-P energy: -45.651 tors. eta vs tors. theta energy: -16.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -486.585786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.585786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.585786 (E_RNA) where: Base-Base interactions energy: -224.546 where: short stacking energy: -142.929 Base-Backbone interact. energy: 3.462 local terms energy: -265.502089 where: bonds (distance) C4'-P energy: -73.140 bonds (distance) P-C4' energy: -72.296 flat angles C4'-P-C4' energy: -69.826 flat angles P-C4'-P energy: -42.480 tors. eta vs tors. theta energy: -7.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -459.900533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.900533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.900533 (E_RNA) where: Base-Base interactions energy: -222.532 where: short stacking energy: -142.277 Base-Backbone interact. energy: -0.171 local terms energy: -237.197014 where: bonds (distance) C4'-P energy: -60.402 bonds (distance) P-C4' energy: -87.534 flat angles C4'-P-C4' energy: -52.064 flat angles P-C4'-P energy: -35.611 tors. eta vs tors. theta energy: -1.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1655.788395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.788395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.788395 (E_RNA) where: Base-Base interactions energy: -1139.637 where: short stacking energy: -499.638 Base-Backbone interact. energy: -1.072 local terms energy: -515.079429 where: bonds (distance) C4'-P energy: -93.712 bonds (distance) P-C4' energy: -90.320 flat angles C4'-P-C4' energy: -100.375 flat angles P-C4'-P energy: -78.018 tors. eta vs tors. theta energy: -152.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1602.348774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.348774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.348774 (E_RNA) where: Base-Base interactions energy: -1105.079 where: short stacking energy: -479.523 Base-Backbone interact. energy: -3.634 local terms energy: -493.636239 where: bonds (distance) C4'-P energy: -102.246 bonds (distance) P-C4' energy: -88.800 flat angles C4'-P-C4' energy: -102.448 flat angles P-C4'-P energy: -58.245 tors. eta vs tors. theta energy: -141.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1453.558047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.558047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.558047 (E_RNA) where: Base-Base interactions energy: -978.911 where: short stacking energy: -429.900 Base-Backbone interact. energy: -6.438 local terms energy: -468.209726 where: bonds (distance) C4'-P energy: -82.712 bonds (distance) P-C4' energy: -97.035 flat angles C4'-P-C4' energy: -100.436 flat angles P-C4'-P energy: -62.208 tors. eta vs tors. theta energy: -125.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1445.310874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.310874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.310874 (E_RNA) where: Base-Base interactions energy: -987.419 where: short stacking energy: -428.402 Base-Backbone interact. energy: 1.017 local terms energy: -458.908835 where: bonds (distance) C4'-P energy: -93.330 bonds (distance) P-C4' energy: -79.607 flat angles C4'-P-C4' energy: -106.154 flat angles P-C4'-P energy: -58.093 tors. eta vs tors. theta energy: -121.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -1282.239172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.239172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.239172 (E_RNA) where: Base-Base interactions energy: -840.315 where: short stacking energy: -403.182 Base-Backbone interact. energy: -1.391 local terms energy: -440.533433 where: bonds (distance) C4'-P energy: -88.598 bonds (distance) P-C4' energy: -101.902 flat angles C4'-P-C4' energy: -86.598 flat angles P-C4'-P energy: -53.206 tors. eta vs tors. theta energy: -110.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1112.624545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.624545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.624545 (E_RNA) where: Base-Base interactions energy: -723.855 where: short stacking energy: -345.000 Base-Backbone interact. energy: 0.786 local terms energy: -389.555300 where: bonds (distance) C4'-P energy: -88.895 bonds (distance) P-C4' energy: -76.686 flat angles C4'-P-C4' energy: -81.172 flat angles P-C4'-P energy: -53.011 tors. eta vs tors. theta energy: -89.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -886.879358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.879358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.879358 (E_RNA) where: Base-Base interactions energy: -556.706 where: short stacking energy: -258.152 Base-Backbone interact. energy: -1.519 local terms energy: -328.653915 where: bonds (distance) C4'-P energy: -79.976 bonds (distance) P-C4' energy: -73.013 flat angles C4'-P-C4' energy: -73.015 flat angles P-C4'-P energy: -48.600 tors. eta vs tors. theta energy: -54.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -756.938356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.938356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.938356 (E_RNA) where: Base-Base interactions energy: -451.837 where: short stacking energy: -212.441 Base-Backbone interact. energy: -0.060 local terms energy: -305.041528 where: bonds (distance) C4'-P energy: -82.051 bonds (distance) P-C4' energy: -83.686 flat angles C4'-P-C4' energy: -78.348 flat angles P-C4'-P energy: -33.349 tors. eta vs tors. theta energy: -27.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -484.101040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.101040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.101040 (E_RNA) where: Base-Base interactions energy: -217.237 where: short stacking energy: -118.209 Base-Backbone interact. energy: 6.614 local terms energy: -273.477358 where: bonds (distance) C4'-P energy: -80.054 bonds (distance) P-C4' energy: -97.827 flat angles C4'-P-C4' energy: -66.471 flat angles P-C4'-P energy: -33.677 tors. eta vs tors. theta energy: 4.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -487.576138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.576138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.576138 (E_RNA) where: Base-Base interactions energy: -222.535 where: short stacking energy: -131.178 Base-Backbone interact. energy: -2.155 local terms energy: -262.886119 where: bonds (distance) C4'-P energy: -67.527 bonds (distance) P-C4' energy: -71.310 flat angles C4'-P-C4' energy: -70.616 flat angles P-C4'-P energy: -40.553 tors. eta vs tors. theta energy: -12.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1640.336982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.336982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.336982 (E_RNA) where: Base-Base interactions energy: -1131.937 where: short stacking energy: -484.980 Base-Backbone interact. energy: -3.662 local terms energy: -504.737620 where: bonds (distance) C4'-P energy: -88.989 bonds (distance) P-C4' energy: -94.177 flat angles C4'-P-C4' energy: -96.340 flat angles P-C4'-P energy: -73.582 tors. eta vs tors. theta energy: -151.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1636.081729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.081729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.081729 (E_RNA) where: Base-Base interactions energy: -1114.520 where: short stacking energy: -483.670 Base-Backbone interact. energy: -1.847 local terms energy: -519.714548 where: bonds (distance) C4'-P energy: -90.486 bonds (distance) P-C4' energy: -95.122 flat angles C4'-P-C4' energy: -105.520 flat angles P-C4'-P energy: -76.144 tors. eta vs tors. theta energy: -152.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1444.024779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.024779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.024779 (E_RNA) where: Base-Base interactions energy: -991.013 where: short stacking energy: -456.728 Base-Backbone interact. energy: 0.145 local terms energy: -453.157256 where: bonds (distance) C4'-P energy: -86.052 bonds (distance) P-C4' energy: -83.831 flat angles C4'-P-C4' energy: -99.782 flat angles P-C4'-P energy: -57.527 tors. eta vs tors. theta energy: -125.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1438.885122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.885122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.885122 (E_RNA) where: Base-Base interactions energy: -972.284 where: short stacking energy: -423.826 Base-Backbone interact. energy: -3.484 local terms energy: -463.117320 where: bonds (distance) C4'-P energy: -92.011 bonds (distance) P-C4' energy: -84.247 flat angles C4'-P-C4' energy: -107.728 flat angles P-C4'-P energy: -69.256 tors. eta vs tors. theta energy: -109.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1245.119896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1245.119896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1245.119896 (E_RNA) where: Base-Base interactions energy: -830.666 where: short stacking energy: -381.813 Base-Backbone interact. energy: -1.273 local terms energy: -413.180760 where: bonds (distance) C4'-P energy: -84.044 bonds (distance) P-C4' energy: -79.221 flat angles C4'-P-C4' energy: -90.580 flat angles P-C4'-P energy: -66.313 tors. eta vs tors. theta energy: -93.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1138.364362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.364362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.364362 (E_RNA) where: Base-Base interactions energy: -753.680 where: short stacking energy: -359.370 Base-Backbone interact. energy: -2.317 local terms energy: -382.367260 where: bonds (distance) C4'-P energy: -73.535 bonds (distance) P-C4' energy: -71.273 flat angles C4'-P-C4' energy: -83.740 flat angles P-C4'-P energy: -60.853 tors. eta vs tors. theta energy: -92.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -878.161434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.161434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.161434 (E_RNA) where: Base-Base interactions energy: -523.217 where: short stacking energy: -251.329 Base-Backbone interact. energy: -0.036 local terms energy: -354.908249 where: bonds (distance) C4'-P energy: -85.820 bonds (distance) P-C4' energy: -77.735 flat angles C4'-P-C4' energy: -83.638 flat angles P-C4'-P energy: -62.730 tors. eta vs tors. theta energy: -44.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -795.874489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.874489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.874489 (E_RNA) where: Base-Base interactions energy: -481.450 where: short stacking energy: -240.634 Base-Backbone interact. energy: 1.764 local terms energy: -316.188257 where: bonds (distance) C4'-P energy: -68.408 bonds (distance) P-C4' energy: -77.616 flat angles C4'-P-C4' energy: -80.676 flat angles P-C4'-P energy: -49.333 tors. eta vs tors. theta energy: -40.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -494.360087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.360087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.360087 (E_RNA) where: Base-Base interactions energy: -220.725 where: short stacking energy: -147.507 Base-Backbone interact. energy: -2.377 local terms energy: -271.258195 where: bonds (distance) C4'-P energy: -83.218 bonds (distance) P-C4' energy: -71.680 flat angles C4'-P-C4' energy: -72.325 flat angles P-C4'-P energy: -39.197 tors. eta vs tors. theta energy: -4.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -472.899033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.899033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.899033 (E_RNA) where: Base-Base interactions energy: -200.169 where: short stacking energy: -120.345 Base-Backbone interact. energy: 4.639 local terms energy: -277.369324 where: bonds (distance) C4'-P energy: -85.894 bonds (distance) P-C4' energy: -76.528 flat angles C4'-P-C4' energy: -74.819 flat angles P-C4'-P energy: -39.051 tors. eta vs tors. theta energy: -1.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1620.040704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.040704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.040704 (E_RNA) where: Base-Base interactions energy: -1095.609 where: short stacking energy: -484.245 Base-Backbone interact. energy: -1.061 local terms energy: -523.370727 where: bonds (distance) C4'-P energy: -95.867 bonds (distance) P-C4' energy: -99.959 flat angles C4'-P-C4' energy: -113.856 flat angles P-C4'-P energy: -63.037 tors. eta vs tors. theta energy: -150.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1617.500982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.500982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.500982 (E_RNA) where: Base-Base interactions energy: -1115.207 where: short stacking energy: -494.427 Base-Backbone interact. energy: -0.705 local terms energy: -501.588939 where: bonds (distance) C4'-P energy: -81.240 bonds (distance) P-C4' energy: -98.931 flat angles C4'-P-C4' energy: -98.757 flat angles P-C4'-P energy: -75.473 tors. eta vs tors. theta energy: -147.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1434.694265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.694265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.694265 (E_RNA) where: Base-Base interactions energy: -969.943 where: short stacking energy: -451.974 Base-Backbone interact. energy: -0.435 local terms energy: -464.315983 where: bonds (distance) C4'-P energy: -91.925 bonds (distance) P-C4' energy: -87.574 flat angles C4'-P-C4' energy: -91.124 flat angles P-C4'-P energy: -68.567 tors. eta vs tors. theta energy: -125.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1408.191998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.191998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.191998 (E_RNA) where: Base-Base interactions energy: -943.483 where: short stacking energy: -439.387 Base-Backbone interact. energy: -0.946 local terms energy: -463.763428 where: bonds (distance) C4'-P energy: -86.165 bonds (distance) P-C4' energy: -94.463 flat angles C4'-P-C4' energy: -95.752 flat angles P-C4'-P energy: -64.912 tors. eta vs tors. theta energy: -122.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1218.903258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.903258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.903258 (E_RNA) where: Base-Base interactions energy: -790.943 where: short stacking energy: -340.126 Base-Backbone interact. energy: -1.388 local terms energy: -426.572303 where: bonds (distance) C4'-P energy: -88.330 bonds (distance) P-C4' energy: -80.605 flat angles C4'-P-C4' energy: -91.377 flat angles P-C4'-P energy: -63.406 tors. eta vs tors. theta energy: -102.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1093.817662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.817662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.817662 (E_RNA) where: Base-Base interactions energy: -696.812 where: short stacking energy: -320.303 Base-Backbone interact. energy: -2.607 local terms energy: -394.398957 where: bonds (distance) C4'-P energy: -84.389 bonds (distance) P-C4' energy: -83.845 flat angles C4'-P-C4' energy: -90.821 flat angles P-C4'-P energy: -54.710 tors. eta vs tors. theta energy: -80.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -838.532672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.532672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.532672 (E_RNA) where: Base-Base interactions energy: -505.179 where: short stacking energy: -256.850 Base-Backbone interact. energy: 2.950 local terms energy: -336.303873 where: bonds (distance) C4'-P energy: -73.081 bonds (distance) P-C4' energy: -81.650 flat angles C4'-P-C4' energy: -66.946 flat angles P-C4'-P energy: -68.213 tors. eta vs tors. theta energy: -46.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -691.243303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.243303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.243303 (E_RNA) where: Base-Base interactions energy: -417.200 where: short stacking energy: -202.342 Base-Backbone interact. energy: -0.355 local terms energy: -273.688350 where: bonds (distance) C4'-P energy: -85.462 bonds (distance) P-C4' energy: -81.510 flat angles C4'-P-C4' energy: -60.908 flat angles P-C4'-P energy: -32.358 tors. eta vs tors. theta energy: -13.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -512.292671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.292671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.292671 (E_RNA) where: Base-Base interactions energy: -261.328 where: short stacking energy: -174.824 Base-Backbone interact. energy: 3.164 local terms energy: -254.128906 where: bonds (distance) C4'-P energy: -83.129 bonds (distance) P-C4' energy: -62.930 flat angles C4'-P-C4' energy: -75.403 flat angles P-C4'-P energy: -36.142 tors. eta vs tors. theta energy: 3.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -443.249411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.249411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.249411 (E_RNA) where: Base-Base interactions energy: -197.043 where: short stacking energy: -130.837 Base-Backbone interact. energy: 0.680 local terms energy: -246.887196 where: bonds (distance) C4'-P energy: -73.527 bonds (distance) P-C4' energy: -78.551 flat angles C4'-P-C4' energy: -71.657 flat angles P-C4'-P energy: -37.538 tors. eta vs tors. theta energy: 14.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1649.526515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.526515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.526515 (E_RNA) where: Base-Base interactions energy: -1129.866 where: short stacking energy: -504.256 Base-Backbone interact. energy: -3.247 local terms energy: -516.412583 where: bonds (distance) C4'-P energy: -101.094 bonds (distance) P-C4' energy: -81.093 flat angles C4'-P-C4' energy: -107.893 flat angles P-C4'-P energy: -79.463 tors. eta vs tors. theta energy: -146.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1591.309582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.309582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.309582 (E_RNA) where: Base-Base interactions energy: -1084.443 where: short stacking energy: -461.119 Base-Backbone interact. energy: -2.162 local terms energy: -504.704581 where: bonds (distance) C4'-P energy: -90.398 bonds (distance) P-C4' energy: -95.673 flat angles C4'-P-C4' energy: -100.565 flat angles P-C4'-P energy: -81.779 tors. eta vs tors. theta energy: -136.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1469.913132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.913132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.913132 (E_RNA) where: Base-Base interactions energy: -998.080 where: short stacking energy: -435.720 Base-Backbone interact. energy: -3.024 local terms energy: -468.808509 where: bonds (distance) C4'-P energy: -86.946 bonds (distance) P-C4' energy: -97.044 flat angles C4'-P-C4' energy: -97.207 flat angles P-C4'-P energy: -67.098 tors. eta vs tors. theta energy: -120.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1396.768835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.768835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.768835 (E_RNA) where: Base-Base interactions energy: -946.486 where: short stacking energy: -422.955 Base-Backbone interact. energy: -2.350 local terms energy: -447.932334 where: bonds (distance) C4'-P energy: -90.800 bonds (distance) P-C4' energy: -80.336 flat angles C4'-P-C4' energy: -95.539 flat angles P-C4'-P energy: -64.916 tors. eta vs tors. theta energy: -116.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1205.397981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.397981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.397981 (E_RNA) where: Base-Base interactions energy: -780.385 where: short stacking energy: -356.462 Base-Backbone interact. energy: -4.712 local terms energy: -420.300342 where: bonds (distance) C4'-P energy: -78.164 bonds (distance) P-C4' energy: -95.559 flat angles C4'-P-C4' energy: -92.224 flat angles P-C4'-P energy: -61.153 tors. eta vs tors. theta energy: -93.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1039.965839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.965839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.965839 (E_RNA) where: Base-Base interactions energy: -685.205 where: short stacking energy: -330.033 Base-Backbone interact. energy: -1.881 local terms energy: -352.879906 where: bonds (distance) C4'-P energy: -64.060 bonds (distance) P-C4' energy: -79.716 flat angles C4'-P-C4' energy: -90.797 flat angles P-C4'-P energy: -49.568 tors. eta vs tors. theta energy: -68.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -813.738165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.738165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.738165 (E_RNA) where: Base-Base interactions energy: -500.542 where: short stacking energy: -234.520 Base-Backbone interact. energy: 6.292 local terms energy: -319.488178 where: bonds (distance) C4'-P energy: -78.717 bonds (distance) P-C4' energy: -65.760 flat angles C4'-P-C4' energy: -74.450 flat angles P-C4'-P energy: -45.702 tors. eta vs tors. theta energy: -54.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -747.780567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.780567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.780567 (E_RNA) where: Base-Base interactions energy: -433.175 where: short stacking energy: -221.196 Base-Backbone interact. energy: 2.729 local terms energy: -317.333724 where: bonds (distance) C4'-P energy: -78.745 bonds (distance) P-C4' energy: -80.966 flat angles C4'-P-C4' energy: -85.638 flat angles P-C4'-P energy: -32.972 tors. eta vs tors. theta energy: -39.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -626.852276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.852276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.852276 (E_RNA) where: Base-Base interactions energy: -345.239 where: short stacking energy: -180.234 Base-Backbone interact. energy: -1.118 local terms energy: -280.494830 where: bonds (distance) C4'-P energy: -75.311 bonds (distance) P-C4' energy: -73.692 flat angles C4'-P-C4' energy: -79.171 flat angles P-C4'-P energy: -36.527 tors. eta vs tors. theta energy: -15.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -455.434596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.434596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.434596 (E_RNA) where: Base-Base interactions energy: -207.472 where: short stacking energy: -136.067 Base-Backbone interact. energy: -2.344 local terms energy: -245.618442 where: bonds (distance) C4'-P energy: -66.295 bonds (distance) P-C4' energy: -84.131 flat angles C4'-P-C4' energy: -60.571 flat angles P-C4'-P energy: -29.204 tors. eta vs tors. theta energy: -5.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1655.133681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.133681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.133681 (E_RNA) where: Base-Base interactions energy: -1150.785 where: short stacking energy: -507.492 Base-Backbone interact. energy: -1.747 local terms energy: -502.601573 where: bonds (distance) C4'-P energy: -85.443 bonds (distance) P-C4' energy: -91.095 flat angles C4'-P-C4' energy: -107.611 flat angles P-C4'-P energy: -70.667 tors. eta vs tors. theta energy: -147.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1578.730259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.730259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.730259 (E_RNA) where: Base-Base interactions energy: -1093.322 where: short stacking energy: -462.521 Base-Backbone interact. energy: -2.211 local terms energy: -483.196801 where: bonds (distance) C4'-P energy: -83.002 bonds (distance) P-C4' energy: -100.186 flat angles C4'-P-C4' energy: -100.999 flat angles P-C4'-P energy: -68.008 tors. eta vs tors. theta energy: -131.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1445.583400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.583400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.583400 (E_RNA) where: Base-Base interactions energy: -979.759 where: short stacking energy: -437.971 Base-Backbone interact. energy: -0.582 local terms energy: -465.242447 where: bonds (distance) C4'-P energy: -89.981 bonds (distance) P-C4' energy: -85.717 flat angles C4'-P-C4' energy: -95.644 flat angles P-C4'-P energy: -67.002 tors. eta vs tors. theta energy: -126.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1383.438692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.438692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.438692 (E_RNA) where: Base-Base interactions energy: -914.654 where: short stacking energy: -415.125 Base-Backbone interact. energy: -0.780 local terms energy: -468.004818 where: bonds (distance) C4'-P energy: -94.829 bonds (distance) P-C4' energy: -85.749 flat angles C4'-P-C4' energy: -94.386 flat angles P-C4'-P energy: -61.980 tors. eta vs tors. theta energy: -131.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1157.955207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.955207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.955207 (E_RNA) where: Base-Base interactions energy: -749.531 where: short stacking energy: -363.265 Base-Backbone interact. energy: 1.343 local terms energy: -409.767735 where: bonds (distance) C4'-P energy: -72.159 bonds (distance) P-C4' energy: -86.563 flat angles C4'-P-C4' energy: -92.641 flat angles P-C4'-P energy: -69.286 tors. eta vs tors. theta energy: -89.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1050.186828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.186828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.186828 (E_RNA) where: Base-Base interactions energy: -660.897 where: short stacking energy: -332.586 Base-Backbone interact. energy: -6.877 local terms energy: -382.413156 where: bonds (distance) C4'-P energy: -87.820 bonds (distance) P-C4' energy: -82.454 flat angles C4'-P-C4' energy: -86.209 flat angles P-C4'-P energy: -45.371 tors. eta vs tors. theta energy: -80.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -838.150669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.150669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.150669 (E_RNA) where: Base-Base interactions energy: -509.379 where: short stacking energy: -227.641 Base-Backbone interact. energy: 3.597 local terms energy: -332.368596 where: bonds (distance) C4'-P energy: -84.111 bonds (distance) P-C4' energy: -101.819 flat angles C4'-P-C4' energy: -73.019 flat angles P-C4'-P energy: -41.911 tors. eta vs tors. theta energy: -31.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -760.381937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.381937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.381937 (E_RNA) where: Base-Base interactions energy: -457.488 where: short stacking energy: -215.014 Base-Backbone interact. energy: 1.274 local terms energy: -304.168225 where: bonds (distance) C4'-P energy: -83.723 bonds (distance) P-C4' energy: -67.839 flat angles C4'-P-C4' energy: -62.053 flat angles P-C4'-P energy: -53.842 tors. eta vs tors. theta energy: -36.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -584.338081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.338081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.338081 (E_RNA) where: Base-Base interactions energy: -294.223 where: short stacking energy: -144.453 Base-Backbone interact. energy: 0.587 local terms energy: -290.701764 where: bonds (distance) C4'-P energy: -81.129 bonds (distance) P-C4' energy: -83.314 flat angles C4'-P-C4' energy: -78.454 flat angles P-C4'-P energy: -50.910 tors. eta vs tors. theta energy: 3.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -456.565546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.565546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.565546 (E_RNA) where: Base-Base interactions energy: -223.555 where: short stacking energy: -141.961 Base-Backbone interact. energy: 2.220 local terms energy: -235.229792 where: bonds (distance) C4'-P energy: -62.380 bonds (distance) P-C4' energy: -79.896 flat angles C4'-P-C4' energy: -65.464 flat angles P-C4'-P energy: -26.803 tors. eta vs tors. theta energy: -0.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1645.998094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.998094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.998094 (E_RNA) where: Base-Base interactions energy: -1137.035 where: short stacking energy: -500.787 Base-Backbone interact. energy: -2.182 local terms energy: -506.781078 where: bonds (distance) C4'-P energy: -92.989 bonds (distance) P-C4' energy: -86.939 flat angles C4'-P-C4' energy: -102.369 flat angles P-C4'-P energy: -77.695 tors. eta vs tors. theta energy: -146.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1564.903906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.903906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.903906 (E_RNA) where: Base-Base interactions energy: -1076.030 where: short stacking energy: -457.193 Base-Backbone interact. energy: 0.152 local terms energy: -489.026317 where: bonds (distance) C4'-P energy: -100.427 bonds (distance) P-C4' energy: -78.067 flat angles C4'-P-C4' energy: -103.744 flat angles P-C4'-P energy: -68.805 tors. eta vs tors. theta energy: -137.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1508.423865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.423865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.423865 (E_RNA) where: Base-Base interactions energy: -1044.838 where: short stacking energy: -450.321 Base-Backbone interact. energy: -1.544 local terms energy: -462.041859 where: bonds (distance) C4'-P energy: -88.820 bonds (distance) P-C4' energy: -89.708 flat angles C4'-P-C4' energy: -94.336 flat angles P-C4'-P energy: -49.298 tors. eta vs tors. theta energy: -139.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1358.307942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.307942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.307942 (E_RNA) where: Base-Base interactions energy: -910.664 where: short stacking energy: -413.770 Base-Backbone interact. energy: -1.449 local terms energy: -446.194947 where: bonds (distance) C4'-P energy: -88.383 bonds (distance) P-C4' energy: -92.526 flat angles C4'-P-C4' energy: -95.187 flat angles P-C4'-P energy: -58.927 tors. eta vs tors. theta energy: -111.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1271.510793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.510793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.510793 (E_RNA) where: Base-Base interactions energy: -836.586 where: short stacking energy: -359.305 Base-Backbone interact. energy: -2.451 local terms energy: -432.474070 where: bonds (distance) C4'-P energy: -89.944 bonds (distance) P-C4' energy: -86.006 flat angles C4'-P-C4' energy: -93.206 flat angles P-C4'-P energy: -59.451 tors. eta vs tors. theta energy: -103.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1043.782558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.782558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.782558 (E_RNA) where: Base-Base interactions energy: -673.396 where: short stacking energy: -302.553 Base-Backbone interact. energy: -2.459 local terms energy: -367.927490 where: bonds (distance) C4'-P energy: -79.875 bonds (distance) P-C4' energy: -74.557 flat angles C4'-P-C4' energy: -93.194 flat angles P-C4'-P energy: -54.578 tors. eta vs tors. theta energy: -65.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -835.377761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.377761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.377761 (E_RNA) where: Base-Base interactions energy: -514.950 where: short stacking energy: -248.220 Base-Backbone interact. energy: -1.824 local terms energy: -318.603233 where: bonds (distance) C4'-P energy: -73.270 bonds (distance) P-C4' energy: -84.645 flat angles C4'-P-C4' energy: -66.051 flat angles P-C4'-P energy: -51.420 tors. eta vs tors. theta energy: -43.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -746.950062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.950062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.950062 (E_RNA) where: Base-Base interactions energy: -432.617 where: short stacking energy: -232.909 Base-Backbone interact. energy: 2.668 local terms energy: -317.000557 where: bonds (distance) C4'-P energy: -83.907 bonds (distance) P-C4' energy: -81.906 flat angles C4'-P-C4' energy: -78.030 flat angles P-C4'-P energy: -43.647 tors. eta vs tors. theta energy: -29.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -607.818738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.818738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.818738 (E_RNA) where: Base-Base interactions energy: -336.492 where: short stacking energy: -172.289 Base-Backbone interact. energy: 2.089 local terms energy: -273.415653 where: bonds (distance) C4'-P energy: -72.215 bonds (distance) P-C4' energy: -92.810 flat angles C4'-P-C4' energy: -59.824 flat angles P-C4'-P energy: -39.761 tors. eta vs tors. theta energy: -8.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -468.561336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.561336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.561336 (E_RNA) where: Base-Base interactions energy: -204.125 where: short stacking energy: -132.502 Base-Backbone interact. energy: -1.271 local terms energy: -263.165167 where: bonds (distance) C4'-P energy: -68.038 bonds (distance) P-C4' energy: -84.275 flat angles C4'-P-C4' energy: -59.470 flat angles P-C4'-P energy: -41.687 tors. eta vs tors. theta energy: -9.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1653.010617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.010617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.010617 (E_RNA) where: Base-Base interactions energy: -1140.092 where: short stacking energy: -488.661 Base-Backbone interact. energy: -2.111 local terms energy: -510.807148 where: bonds (distance) C4'-P energy: -92.108 bonds (distance) P-C4' energy: -96.240 flat angles C4'-P-C4' energy: -112.733 flat angles P-C4'-P energy: -58.543 tors. eta vs tors. theta energy: -151.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1583.619794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.619794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.619794 (E_RNA) where: Base-Base interactions energy: -1097.512 where: short stacking energy: -490.311 Base-Backbone interact. energy: -0.666 local terms energy: -485.442367 where: bonds (distance) C4'-P energy: -81.025 bonds (distance) P-C4' energy: -90.178 flat angles C4'-P-C4' energy: -102.232 flat angles P-C4'-P energy: -71.497 tors. eta vs tors. theta energy: -140.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1503.366571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.366571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.366571 (E_RNA) where: Base-Base interactions energy: -1045.462 where: short stacking energy: -432.018 Base-Backbone interact. energy: -4.719 local terms energy: -453.184958 where: bonds (distance) C4'-P energy: -82.273 bonds (distance) P-C4' energy: -86.184 flat angles C4'-P-C4' energy: -102.058 flat angles P-C4'-P energy: -57.799 tors. eta vs tors. theta energy: -124.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1369.152875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.152875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.152875 (E_RNA) where: Base-Base interactions energy: -919.809 where: short stacking energy: -404.162 Base-Backbone interact. energy: -1.373 local terms energy: -447.971088 where: bonds (distance) C4'-P energy: -82.143 bonds (distance) P-C4' energy: -89.944 flat angles C4'-P-C4' energy: -94.449 flat angles P-C4'-P energy: -68.743 tors. eta vs tors. theta energy: -112.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1251.139470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.139470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.139470 (E_RNA) where: Base-Base interactions energy: -824.341 where: short stacking energy: -386.780 Base-Backbone interact. energy: -1.198 local terms energy: -425.600019 where: bonds (distance) C4'-P energy: -80.194 bonds (distance) P-C4' energy: -89.238 flat angles C4'-P-C4' energy: -95.035 flat angles P-C4'-P energy: -55.338 tors. eta vs tors. theta energy: -105.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -1060.336259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.336259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.336259 (E_RNA) where: Base-Base interactions energy: -670.767 where: short stacking energy: -306.960 Base-Backbone interact. energy: -3.289 local terms energy: -386.280242 where: bonds (distance) C4'-P energy: -84.701 bonds (distance) P-C4' energy: -88.317 flat angles C4'-P-C4' energy: -87.717 flat angles P-C4'-P energy: -52.544 tors. eta vs tors. theta energy: -73.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -885.908897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.908897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.908897 (E_RNA) where: Base-Base interactions energy: -525.302 where: short stacking energy: -272.409 Base-Backbone interact. energy: 0.182 local terms energy: -360.788755 where: bonds (distance) C4'-P energy: -80.434 bonds (distance) P-C4' energy: -79.831 flat angles C4'-P-C4' energy: -88.723 flat angles P-C4'-P energy: -53.962 tors. eta vs tors. theta energy: -57.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -778.834052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.834052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.834052 (E_RNA) where: Base-Base interactions energy: -439.292 where: short stacking energy: -233.752 Base-Backbone interact. energy: -1.391 local terms energy: -338.151200 where: bonds (distance) C4'-P energy: -68.334 bonds (distance) P-C4' energy: -80.678 flat angles C4'-P-C4' energy: -80.997 flat angles P-C4'-P energy: -60.989 tors. eta vs tors. theta energy: -47.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -614.286991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.286991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.286991 (E_RNA) where: Base-Base interactions energy: -321.004 where: short stacking energy: -169.920 Base-Backbone interact. energy: -1.829 local terms energy: -291.454574 where: bonds (distance) C4'-P energy: -64.603 bonds (distance) P-C4' energy: -85.131 flat angles C4'-P-C4' energy: -90.529 flat angles P-C4'-P energy: -38.078 tors. eta vs tors. theta energy: -13.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -497.355980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.355980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.355980 (E_RNA) where: Base-Base interactions energy: -249.251 where: short stacking energy: -146.388 Base-Backbone interact. energy: -1.690 local terms energy: -246.415024 where: bonds (distance) C4'-P energy: -64.649 bonds (distance) P-C4' energy: -79.370 flat angles C4'-P-C4' energy: -59.620 flat angles P-C4'-P energy: -47.143 tors. eta vs tors. theta energy: 4.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1607.551901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.551901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.551901 (E_RNA) where: Base-Base interactions energy: -1109.003 where: short stacking energy: -486.799 Base-Backbone interact. energy: -1.422 local terms energy: -497.127500 where: bonds (distance) C4'-P energy: -88.522 bonds (distance) P-C4' energy: -94.667 flat angles C4'-P-C4' energy: -113.131 flat angles P-C4'-P energy: -62.494 tors. eta vs tors. theta energy: -138.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1629.078976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.078976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.078976 (E_RNA) where: Base-Base interactions energy: -1118.734 where: short stacking energy: -485.417 Base-Backbone interact. energy: -0.726 local terms energy: -509.619299 where: bonds (distance) C4'-P energy: -88.718 bonds (distance) P-C4' energy: -101.412 flat angles C4'-P-C4' energy: -104.280 flat angles P-C4'-P energy: -66.557 tors. eta vs tors. theta energy: -148.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1499.287054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.287054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.287054 (E_RNA) where: Base-Base interactions energy: -1024.343 where: short stacking energy: -427.876 Base-Backbone interact. energy: -4.212 local terms energy: -470.732925 where: bonds (distance) C4'-P energy: -85.050 bonds (distance) P-C4' energy: -89.184 flat angles C4'-P-C4' energy: -97.697 flat angles P-C4'-P energy: -64.787 tors. eta vs tors. theta energy: -134.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1363.030814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.030814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.030814 (E_RNA) where: Base-Base interactions energy: -922.942 where: short stacking energy: -412.096 Base-Backbone interact. energy: 1.249 local terms energy: -441.337185 where: bonds (distance) C4'-P energy: -86.248 bonds (distance) P-C4' energy: -90.146 flat angles C4'-P-C4' energy: -98.095 flat angles P-C4'-P energy: -53.621 tors. eta vs tors. theta energy: -113.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1230.624706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.624706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.624706 (E_RNA) where: Base-Base interactions energy: -809.515 where: short stacking energy: -358.223 Base-Backbone interact. energy: 3.620 local terms energy: -424.729886 where: bonds (distance) C4'-P energy: -89.264 bonds (distance) P-C4' energy: -77.504 flat angles C4'-P-C4' energy: -99.097 flat angles P-C4'-P energy: -67.209 tors. eta vs tors. theta energy: -91.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1126.827632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.827632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.827632 (E_RNA) where: Base-Base interactions energy: -729.369 where: short stacking energy: -330.439 Base-Backbone interact. energy: -2.610 local terms energy: -394.848329 where: bonds (distance) C4'-P energy: -90.481 bonds (distance) P-C4' energy: -75.698 flat angles C4'-P-C4' energy: -96.869 flat angles P-C4'-P energy: -57.753 tors. eta vs tors. theta energy: -74.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -848.601573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.601573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.601573 (E_RNA) where: Base-Base interactions energy: -530.934 where: short stacking energy: -266.086 Base-Backbone interact. energy: 1.431 local terms energy: -319.098397 where: bonds (distance) C4'-P energy: -83.477 bonds (distance) P-C4' energy: -71.663 flat angles C4'-P-C4' energy: -73.972 flat angles P-C4'-P energy: -51.084 tors. eta vs tors. theta energy: -38.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -840.811306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.811306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.811306 (E_RNA) where: Base-Base interactions energy: -474.854 where: short stacking energy: -242.017 Base-Backbone interact. energy: 0.705 local terms energy: -366.662835 where: bonds (distance) C4'-P energy: -82.420 bonds (distance) P-C4' energy: -92.649 flat angles C4'-P-C4' energy: -86.149 flat angles P-C4'-P energy: -53.694 tors. eta vs tors. theta energy: -51.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -631.852530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.852530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.852530 (E_RNA) where: Base-Base interactions energy: -330.449 where: short stacking energy: -152.588 Base-Backbone interact. energy: -0.749 local terms energy: -300.654654 where: bonds (distance) C4'-P energy: -67.348 bonds (distance) P-C4' energy: -87.009 flat angles C4'-P-C4' energy: -80.193 flat angles P-C4'-P energy: -61.090 tors. eta vs tors. theta energy: -5.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -471.303386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.303386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.303386 (E_RNA) where: Base-Base interactions energy: -245.323 where: short stacking energy: -142.754 Base-Backbone interact. energy: 0.584 local terms energy: -226.563623 where: bonds (distance) C4'-P energy: -69.657 bonds (distance) P-C4' energy: -64.707 flat angles C4'-P-C4' energy: -72.721 flat angles P-C4'-P energy: -36.217 tors. eta vs tors. theta energy: 16.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1605.981957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.981957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.981957 (E_RNA) where: Base-Base interactions energy: -1097.797 where: short stacking energy: -486.162 Base-Backbone interact. energy: 1.250 local terms energy: -509.435197 where: bonds (distance) C4'-P energy: -92.068 bonds (distance) P-C4' energy: -90.633 flat angles C4'-P-C4' energy: -113.641 flat angles P-C4'-P energy: -70.301 tors. eta vs tors. theta energy: -142.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1616.582827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.582827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.582827 (E_RNA) where: Base-Base interactions energy: -1107.571 where: short stacking energy: -498.273 Base-Backbone interact. energy: -0.287 local terms energy: -508.725398 where: bonds (distance) C4'-P energy: -88.249 bonds (distance) P-C4' energy: -89.264 flat angles C4'-P-C4' energy: -107.556 flat angles P-C4'-P energy: -78.473 tors. eta vs tors. theta energy: -145.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1528.641902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.641902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.641902 (E_RNA) where: Base-Base interactions energy: -1034.124 where: short stacking energy: -435.588 Base-Backbone interact. energy: -6.412 local terms energy: -488.105644 where: bonds (distance) C4'-P energy: -82.548 bonds (distance) P-C4' energy: -97.684 flat angles C4'-P-C4' energy: -92.340 flat angles P-C4'-P energy: -80.310 tors. eta vs tors. theta energy: -135.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1386.426105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.426105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.426105 (E_RNA) where: Base-Base interactions energy: -905.966 where: short stacking energy: -415.531 Base-Backbone interact. energy: -1.401 local terms energy: -479.059471 where: bonds (distance) C4'-P energy: -95.059 bonds (distance) P-C4' energy: -92.450 flat angles C4'-P-C4' energy: -108.986 flat angles P-C4'-P energy: -65.200 tors. eta vs tors. theta energy: -117.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1244.578007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.578007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.578007 (E_RNA) where: Base-Base interactions energy: -816.954 where: short stacking energy: -382.203 Base-Backbone interact. energy: -0.293 local terms energy: -427.330590 where: bonds (distance) C4'-P energy: -90.062 bonds (distance) P-C4' energy: -94.697 flat angles C4'-P-C4' energy: -91.778 flat angles P-C4'-P energy: -46.400 tors. eta vs tors. theta energy: -104.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1114.775582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.775582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.775582 (E_RNA) where: Base-Base interactions energy: -713.386 where: short stacking energy: -329.167 Base-Backbone interact. energy: 4.605 local terms energy: -405.994525 where: bonds (distance) C4'-P energy: -81.829 bonds (distance) P-C4' energy: -85.194 flat angles C4'-P-C4' energy: -96.083 flat angles P-C4'-P energy: -63.434 tors. eta vs tors. theta energy: -79.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -903.094044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.094044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.094044 (E_RNA) where: Base-Base interactions energy: -544.118 where: short stacking energy: -267.947 Base-Backbone interact. energy: 2.066 local terms energy: -361.041546 where: bonds (distance) C4'-P energy: -80.400 bonds (distance) P-C4' energy: -91.875 flat angles C4'-P-C4' energy: -83.857 flat angles P-C4'-P energy: -50.206 tors. eta vs tors. theta energy: -54.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -786.050841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.050841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.050841 (E_RNA) where: Base-Base interactions energy: -469.487 where: short stacking energy: -247.040 Base-Backbone interact. energy: -1.231 local terms energy: -315.332784 where: bonds (distance) C4'-P energy: -83.482 bonds (distance) P-C4' energy: -68.058 flat angles C4'-P-C4' energy: -80.946 flat angles P-C4'-P energy: -41.006 tors. eta vs tors. theta energy: -41.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -625.134078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.134078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.134078 (E_RNA) where: Base-Base interactions energy: -333.891 where: short stacking energy: -185.701 Base-Backbone interact. energy: 3.911 local terms energy: -295.153690 where: bonds (distance) C4'-P energy: -85.439 bonds (distance) P-C4' energy: -76.622 flat angles C4'-P-C4' energy: -75.462 flat angles P-C4'-P energy: -34.163 tors. eta vs tors. theta energy: -23.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -475.007656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.007656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.007656 (E_RNA) where: Base-Base interactions energy: -202.441 where: short stacking energy: -124.374 Base-Backbone interact. energy: -1.171 local terms energy: -271.395417 where: bonds (distance) C4'-P energy: -81.769 bonds (distance) P-C4' energy: -82.145 flat angles C4'-P-C4' energy: -63.677 flat angles P-C4'-P energy: -50.879 tors. eta vs tors. theta energy: 7.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1596.616811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.616811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.616811 (E_RNA) where: Base-Base interactions energy: -1092.095 where: short stacking energy: -480.695 Base-Backbone interact. energy: -2.093 local terms energy: -502.428824 where: bonds (distance) C4'-P energy: -95.647 bonds (distance) P-C4' energy: -96.063 flat angles C4'-P-C4' energy: -105.023 flat angles P-C4'-P energy: -68.805 tors. eta vs tors. theta energy: -136.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1618.710119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.710119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.710119 (E_RNA) where: Base-Base interactions energy: -1117.768 where: short stacking energy: -468.630 Base-Backbone interact. energy: -2.279 local terms energy: -498.662343 where: bonds (distance) C4'-P energy: -85.588 bonds (distance) P-C4' energy: -91.109 flat angles C4'-P-C4' energy: -106.462 flat angles P-C4'-P energy: -71.046 tors. eta vs tors. theta energy: -144.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1528.884468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.884468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.884468 (E_RNA) where: Base-Base interactions energy: -1067.460 where: short stacking energy: -443.836 Base-Backbone interact. energy: -2.936 local terms energy: -458.488668 where: bonds (distance) C4'-P energy: -83.870 bonds (distance) P-C4' energy: -87.435 flat angles C4'-P-C4' energy: -89.344 flat angles P-C4'-P energy: -62.506 tors. eta vs tors. theta energy: -135.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1372.493376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.493376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.493376 (E_RNA) where: Base-Base interactions energy: -914.517 where: short stacking energy: -396.130 Base-Backbone interact. energy: -1.494 local terms energy: -456.482194 where: bonds (distance) C4'-P energy: -96.757 bonds (distance) P-C4' energy: -80.510 flat angles C4'-P-C4' energy: -102.138 flat angles P-C4'-P energy: -61.312 tors. eta vs tors. theta energy: -115.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1280.710399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.710399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.710399 (E_RNA) where: Base-Base interactions energy: -840.455 where: short stacking energy: -365.863 Base-Backbone interact. energy: -1.881 local terms energy: -438.373808 where: bonds (distance) C4'-P energy: -91.516 bonds (distance) P-C4' energy: -87.482 flat angles C4'-P-C4' energy: -97.414 flat angles P-C4'-P energy: -56.087 tors. eta vs tors. theta energy: -105.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1128.970224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.970224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.970224 (E_RNA) where: Base-Base interactions energy: -731.355 where: short stacking energy: -345.277 Base-Backbone interact. energy: 2.296 local terms energy: -399.910980 where: bonds (distance) C4'-P energy: -73.740 bonds (distance) P-C4' energy: -80.156 flat angles C4'-P-C4' energy: -95.214 flat angles P-C4'-P energy: -65.979 tors. eta vs tors. theta energy: -84.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -897.866303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.866303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.866303 (E_RNA) where: Base-Base interactions energy: -540.884 where: short stacking energy: -258.435 Base-Backbone interact. energy: -1.735 local terms energy: -355.246556 where: bonds (distance) C4'-P energy: -82.781 bonds (distance) P-C4' energy: -87.675 flat angles C4'-P-C4' energy: -84.854 flat angles P-C4'-P energy: -50.320 tors. eta vs tors. theta energy: -49.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -794.374933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.374933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.374933 (E_RNA) where: Base-Base interactions energy: -474.124 where: short stacking energy: -235.745 Base-Backbone interact. energy: -1.829 local terms energy: -318.421841 where: bonds (distance) C4'-P energy: -69.330 bonds (distance) P-C4' energy: -80.833 flat angles C4'-P-C4' energy: -84.907 flat angles P-C4'-P energy: -38.105 tors. eta vs tors. theta energy: -45.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -654.330494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.330494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.330494 (E_RNA) where: Base-Base interactions energy: -337.157 where: short stacking energy: -192.361 Base-Backbone interact. energy: -3.087 local terms energy: -314.086593 where: bonds (distance) C4'-P energy: -78.516 bonds (distance) P-C4' energy: -92.196 flat angles C4'-P-C4' energy: -84.155 flat angles P-C4'-P energy: -38.499 tors. eta vs tors. theta energy: -20.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -511.388985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.388985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.388985 (E_RNA) where: Base-Base interactions energy: -240.991 where: short stacking energy: -158.171 Base-Backbone interact. energy: 5.674 local terms energy: -276.071146 where: bonds (distance) C4'-P energy: -72.012 bonds (distance) P-C4' energy: -83.533 flat angles C4'-P-C4' energy: -75.484 flat angles P-C4'-P energy: -38.450 tors. eta vs tors. theta energy: -6.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1613.091745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.091745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.091745 (E_RNA) where: Base-Base interactions energy: -1102.541 where: short stacking energy: -494.253 Base-Backbone interact. energy: -0.737 local terms energy: -509.813998 where: bonds (distance) C4'-P energy: -94.747 bonds (distance) P-C4' energy: -90.579 flat angles C4'-P-C4' energy: -98.953 flat angles P-C4'-P energy: -80.673 tors. eta vs tors. theta energy: -144.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1626.006438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.006438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.006438 (E_RNA) where: Base-Base interactions energy: -1126.970 where: short stacking energy: -476.373 Base-Backbone interact. energy: -0.829 local terms energy: -498.207466 where: bonds (distance) C4'-P energy: -83.276 bonds (distance) P-C4' energy: -98.836 flat angles C4'-P-C4' energy: -102.072 flat angles P-C4'-P energy: -65.814 tors. eta vs tors. theta energy: -148.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1547.640411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.640411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.640411 (E_RNA) where: Base-Base interactions energy: -1077.447 where: short stacking energy: -464.207 Base-Backbone interact. energy: -1.625 local terms energy: -468.568140 where: bonds (distance) C4'-P energy: -93.362 bonds (distance) P-C4' energy: -79.721 flat angles C4'-P-C4' energy: -101.791 flat angles P-C4'-P energy: -58.425 tors. eta vs tors. theta energy: -135.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1367.269627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.269627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.269627 (E_RNA) where: Base-Base interactions energy: -937.722 where: short stacking energy: -416.519 Base-Backbone interact. energy: 0.775 local terms energy: -430.322113 where: bonds (distance) C4'-P energy: -82.634 bonds (distance) P-C4' energy: -80.035 flat angles C4'-P-C4' energy: -93.145 flat angles P-C4'-P energy: -66.480 tors. eta vs tors. theta energy: -108.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1247.477732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.477732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.477732 (E_RNA) where: Base-Base interactions energy: -813.985 where: short stacking energy: -376.561 Base-Backbone interact. energy: -2.109 local terms energy: -431.383609 where: bonds (distance) C4'-P energy: -92.708 bonds (distance) P-C4' energy: -88.190 flat angles C4'-P-C4' energy: -96.079 flat angles P-C4'-P energy: -54.891 tors. eta vs tors. theta energy: -99.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1099.748727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.748727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.748727 (E_RNA) where: Base-Base interactions energy: -703.367 where: short stacking energy: -323.215 Base-Backbone interact. energy: -3.272 local terms energy: -393.109971 where: bonds (distance) C4'-P energy: -79.439 bonds (distance) P-C4' energy: -85.159 flat angles C4'-P-C4' energy: -97.929 flat angles P-C4'-P energy: -53.075 tors. eta vs tors. theta energy: -77.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -915.415621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.415621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.415621 (E_RNA) where: Base-Base interactions energy: -579.142 where: short stacking energy: -268.118 Base-Backbone interact. energy: -2.769 local terms energy: -333.505232 where: bonds (distance) C4'-P energy: -81.973 bonds (distance) P-C4' energy: -87.856 flat angles C4'-P-C4' energy: -62.697 flat angles P-C4'-P energy: -51.040 tors. eta vs tors. theta energy: -49.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -687.922807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.922807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.922807 (E_RNA) where: Base-Base interactions energy: -394.158 where: short stacking energy: -201.993 Base-Backbone interact. energy: -1.691 local terms energy: -292.072976 where: bonds (distance) C4'-P energy: -67.000 bonds (distance) P-C4' energy: -87.831 flat angles C4'-P-C4' energy: -75.626 flat angles P-C4'-P energy: -37.863 tors. eta vs tors. theta energy: -23.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -624.067544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.067544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.067544 (E_RNA) where: Base-Base interactions energy: -325.893 where: short stacking energy: -179.128 Base-Backbone interact. energy: -2.555 local terms energy: -295.618707 where: bonds (distance) C4'-P energy: -89.334 bonds (distance) P-C4' energy: -63.275 flat angles C4'-P-C4' energy: -63.694 flat angles P-C4'-P energy: -55.070 tors. eta vs tors. theta energy: -24.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -448.525877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.525877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.525877 (E_RNA) where: Base-Base interactions energy: -202.889 where: short stacking energy: -113.668 Base-Backbone interact. energy: -1.375 local terms energy: -244.262171 where: bonds (distance) C4'-P energy: -86.148 bonds (distance) P-C4' energy: -84.768 flat angles C4'-P-C4' energy: -71.269 flat angles P-C4'-P energy: -16.520 tors. eta vs tors. theta energy: 14.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1662.409789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.409789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.409789 (E_RNA) where: Base-Base interactions energy: -1143.240 where: short stacking energy: -502.176 Base-Backbone interact. energy: -0.892 local terms energy: -518.277405 where: bonds (distance) C4'-P energy: -83.925 bonds (distance) P-C4' energy: -102.321 flat angles C4'-P-C4' energy: -109.247 flat angles P-C4'-P energy: -64.602 tors. eta vs tors. theta energy: -158.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1539.276245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.276245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.276245 (E_RNA) where: Base-Base interactions energy: -1047.303 where: short stacking energy: -446.509 Base-Backbone interact. energy: -0.853 local terms energy: -491.119963 where: bonds (distance) C4'-P energy: -81.711 bonds (distance) P-C4' energy: -89.933 flat angles C4'-P-C4' energy: -105.457 flat angles P-C4'-P energy: -77.908 tors. eta vs tors. theta energy: -136.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1533.660856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.660856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.660856 (E_RNA) where: Base-Base interactions energy: -1063.280 where: short stacking energy: -477.389 Base-Backbone interact. energy: -2.604 local terms energy: -467.777046 where: bonds (distance) C4'-P energy: -79.265 bonds (distance) P-C4' energy: -97.379 flat angles C4'-P-C4' energy: -97.560 flat angles P-C4'-P energy: -56.084 tors. eta vs tors. theta energy: -137.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1376.523541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.523541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.523541 (E_RNA) where: Base-Base interactions energy: -922.639 where: short stacking energy: -403.844 Base-Backbone interact. energy: 3.141 local terms energy: -457.025326 where: bonds (distance) C4'-P energy: -83.695 bonds (distance) P-C4' energy: -85.035 flat angles C4'-P-C4' energy: -103.172 flat angles P-C4'-P energy: -69.596 tors. eta vs tors. theta energy: -115.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1292.213236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.213236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.213236 (E_RNA) where: Base-Base interactions energy: -868.981 where: short stacking energy: -384.678 Base-Backbone interact. energy: -1.277 local terms energy: -421.955043 where: bonds (distance) C4'-P energy: -74.574 bonds (distance) P-C4' energy: -90.441 flat angles C4'-P-C4' energy: -96.422 flat angles P-C4'-P energy: -59.070 tors. eta vs tors. theta energy: -101.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1034.585988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.585988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.585988 (E_RNA) where: Base-Base interactions energy: -645.646 where: short stacking energy: -308.734 Base-Backbone interact. energy: -2.121 local terms energy: -386.818791 where: bonds (distance) C4'-P energy: -80.764 bonds (distance) P-C4' energy: -87.118 flat angles C4'-P-C4' energy: -84.632 flat angles P-C4'-P energy: -44.875 tors. eta vs tors. theta energy: -89.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -916.141366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.141366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.141366 (E_RNA) where: Base-Base interactions energy: -587.701 where: short stacking energy: -295.498 Base-Backbone interact. energy: -2.408 local terms energy: -326.032014 where: bonds (distance) C4'-P energy: -60.320 bonds (distance) P-C4' energy: -83.362 flat angles C4'-P-C4' energy: -71.140 flat angles P-C4'-P energy: -49.008 tors. eta vs tors. theta energy: -62.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -727.785631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.785631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.785631 (E_RNA) where: Base-Base interactions energy: -400.382 where: short stacking energy: -210.705 Base-Backbone interact. energy: -1.011 local terms energy: -326.392749 where: bonds (distance) C4'-P energy: -67.267 bonds (distance) P-C4' energy: -93.724 flat angles C4'-P-C4' energy: -76.530 flat angles P-C4'-P energy: -50.860 tors. eta vs tors. theta energy: -38.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -587.499588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.499588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.499588 (E_RNA) where: Base-Base interactions energy: -290.381 where: short stacking energy: -160.525 Base-Backbone interact. energy: 0.853 local terms energy: -297.972156 where: bonds (distance) C4'-P energy: -92.899 bonds (distance) P-C4' energy: -88.200 flat angles C4'-P-C4' energy: -63.341 flat angles P-C4'-P energy: -51.842 tors. eta vs tors. theta energy: -1.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -482.800857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.800857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.800857 (E_RNA) where: Base-Base interactions energy: -247.503 where: short stacking energy: -159.794 Base-Backbone interact. energy: 1.289 local terms energy: -236.587621 where: bonds (distance) C4'-P energy: -62.737 bonds (distance) P-C4' energy: -71.368 flat angles C4'-P-C4' energy: -67.718 flat angles P-C4'-P energy: -39.742 tors. eta vs tors. theta energy: 4.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1672.100897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.100897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.100897 (E_RNA) where: Base-Base interactions energy: -1145.033 where: short stacking energy: -497.036 Base-Backbone interact. energy: -0.436 local terms energy: -526.632205 where: bonds (distance) C4'-P energy: -102.078 bonds (distance) P-C4' energy: -80.015 flat angles C4'-P-C4' energy: -112.691 flat angles P-C4'-P energy: -73.000 tors. eta vs tors. theta energy: -158.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1583.252772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.252772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.252772 (E_RNA) where: Base-Base interactions energy: -1064.868 where: short stacking energy: -449.129 Base-Backbone interact. energy: -1.402 local terms energy: -516.983249 where: bonds (distance) C4'-P energy: -96.515 bonds (distance) P-C4' energy: -95.224 flat angles C4'-P-C4' energy: -107.842 flat angles P-C4'-P energy: -80.575 tors. eta vs tors. theta energy: -136.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1546.026669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.026669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.026669 (E_RNA) where: Base-Base interactions energy: -1063.569 where: short stacking energy: -468.737 Base-Backbone interact. energy: -1.590 local terms energy: -480.867717 where: bonds (distance) C4'-P energy: -90.456 bonds (distance) P-C4' energy: -82.306 flat angles C4'-P-C4' energy: -101.488 flat angles P-C4'-P energy: -70.610 tors. eta vs tors. theta energy: -136.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1409.779218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.779218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.779218 (E_RNA) where: Base-Base interactions energy: -942.805 where: short stacking energy: -411.473 Base-Backbone interact. energy: -1.109 local terms energy: -465.864767 where: bonds (distance) C4'-P energy: -91.735 bonds (distance) P-C4' energy: -96.106 flat angles C4'-P-C4' energy: -97.631 flat angles P-C4'-P energy: -60.350 tors. eta vs tors. theta energy: -120.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1309.537160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.537160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.537160 (E_RNA) where: Base-Base interactions energy: -879.026 where: short stacking energy: -388.695 Base-Backbone interact. energy: -2.808 local terms energy: -427.703015 where: bonds (distance) C4'-P energy: -80.600 bonds (distance) P-C4' energy: -86.054 flat angles C4'-P-C4' energy: -97.857 flat angles P-C4'-P energy: -57.880 tors. eta vs tors. theta energy: -105.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1060.014012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.014012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.014012 (E_RNA) where: Base-Base interactions energy: -650.037 where: short stacking energy: -319.089 Base-Backbone interact. energy: 4.659 local terms energy: -414.636328 where: bonds (distance) C4'-P energy: -93.668 bonds (distance) P-C4' energy: -92.632 flat angles C4'-P-C4' energy: -91.628 flat angles P-C4'-P energy: -56.253 tors. eta vs tors. theta energy: -80.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -915.804805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.804805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.804805 (E_RNA) where: Base-Base interactions energy: -553.348 where: short stacking energy: -254.192 Base-Backbone interact. energy: -2.816 local terms energy: -359.639992 where: bonds (distance) C4'-P energy: -76.789 bonds (distance) P-C4' energy: -101.655 flat angles C4'-P-C4' energy: -74.475 flat angles P-C4'-P energy: -57.799 tors. eta vs tors. theta energy: -48.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -693.822916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.822916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.822916 (E_RNA) where: Base-Base interactions energy: -388.039 where: short stacking energy: -214.076 Base-Backbone interact. energy: 2.758 local terms energy: -308.541387 where: bonds (distance) C4'-P energy: -83.042 bonds (distance) P-C4' energy: -72.303 flat angles C4'-P-C4' energy: -74.507 flat angles P-C4'-P energy: -51.937 tors. eta vs tors. theta energy: -26.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -561.578618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.578618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.578618 (E_RNA) where: Base-Base interactions energy: -273.055 where: short stacking energy: -144.799 Base-Backbone interact. energy: 1.452 local terms energy: -289.975605 where: bonds (distance) C4'-P energy: -74.678 bonds (distance) P-C4' energy: -77.784 flat angles C4'-P-C4' energy: -86.779 flat angles P-C4'-P energy: -45.951 tors. eta vs tors. theta energy: -4.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -470.603208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.603208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.603208 (E_RNA) where: Base-Base interactions energy: -235.891 where: short stacking energy: -172.109 Base-Backbone interact. energy: -1.258 local terms energy: -233.454035 where: bonds (distance) C4'-P energy: -74.673 bonds (distance) P-C4' energy: -74.194 flat angles C4'-P-C4' energy: -50.042 flat angles P-C4'-P energy: -39.053 tors. eta vs tors. theta energy: 4.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1663.594491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.594491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.594491 (E_RNA) where: Base-Base interactions energy: -1130.860 where: short stacking energy: -504.423 Base-Backbone interact. energy: -3.042 local terms energy: -529.692888 where: bonds (distance) C4'-P energy: -97.139 bonds (distance) P-C4' energy: -98.617 flat angles C4'-P-C4' energy: -112.973 flat angles P-C4'-P energy: -69.778 tors. eta vs tors. theta energy: -151.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1568.255830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.255830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.255830 (E_RNA) where: Base-Base interactions energy: -1077.922 where: short stacking energy: -461.258 Base-Backbone interact. energy: -1.307 local terms energy: -489.026545 where: bonds (distance) C4'-P energy: -78.144 bonds (distance) P-C4' energy: -94.043 flat angles C4'-P-C4' energy: -100.812 flat angles P-C4'-P energy: -76.367 tors. eta vs tors. theta energy: -139.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1501.016574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.016574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.016574 (E_RNA) where: Base-Base interactions energy: -1044.625 where: short stacking energy: -464.859 Base-Backbone interact. energy: -3.053 local terms energy: -453.338399 where: bonds (distance) C4'-P energy: -75.999 bonds (distance) P-C4' energy: -68.471 flat angles C4'-P-C4' energy: -104.052 flat angles P-C4'-P energy: -72.260 tors. eta vs tors. theta energy: -132.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1428.841257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.841257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.841257 (E_RNA) where: Base-Base interactions energy: -984.615 where: short stacking energy: -430.100 Base-Backbone interact. energy: 1.783 local terms energy: -446.009315 where: bonds (distance) C4'-P energy: -102.392 bonds (distance) P-C4' energy: -68.629 flat angles C4'-P-C4' energy: -101.047 flat angles P-C4'-P energy: -57.083 tors. eta vs tors. theta energy: -116.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1321.833221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.833221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.833221 (E_RNA) where: Base-Base interactions energy: -884.885 where: short stacking energy: -406.601 Base-Backbone interact. energy: -2.069 local terms energy: -434.878689 where: bonds (distance) C4'-P energy: -89.328 bonds (distance) P-C4' energy: -84.848 flat angles C4'-P-C4' energy: -95.312 flat angles P-C4'-P energy: -52.398 tors. eta vs tors. theta energy: -112.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1042.940687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.940687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.940687 (E_RNA) where: Base-Base interactions energy: -668.952 where: short stacking energy: -313.275 Base-Backbone interact. energy: 5.437 local terms energy: -379.425739 where: bonds (distance) C4'-P energy: -76.879 bonds (distance) P-C4' energy: -90.238 flat angles C4'-P-C4' energy: -82.676 flat angles P-C4'-P energy: -56.354 tors. eta vs tors. theta energy: -73.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -893.071721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.071721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.071721 (E_RNA) where: Base-Base interactions energy: -522.145 where: short stacking energy: -258.177 Base-Backbone interact. energy: -4.075 local terms energy: -366.851109 where: bonds (distance) C4'-P energy: -81.489 bonds (distance) P-C4' energy: -88.061 flat angles C4'-P-C4' energy: -98.991 flat angles P-C4'-P energy: -46.699 tors. eta vs tors. theta energy: -51.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -683.299419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.299419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.299419 (E_RNA) where: Base-Base interactions energy: -390.838 where: short stacking energy: -197.149 Base-Backbone interact. energy: -2.436 local terms energy: -290.025324 where: bonds (distance) C4'-P energy: -80.067 bonds (distance) P-C4' energy: -63.558 flat angles C4'-P-C4' energy: -79.961 flat angles P-C4'-P energy: -35.072 tors. eta vs tors. theta energy: -31.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -600.417713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.417713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.417713 (E_RNA) where: Base-Base interactions energy: -298.287 where: short stacking energy: -179.929 Base-Backbone interact. energy: -2.630 local terms energy: -299.501292 where: bonds (distance) C4'-P energy: -83.138 bonds (distance) P-C4' energy: -79.103 flat angles C4'-P-C4' energy: -78.469 flat angles P-C4'-P energy: -36.115 tors. eta vs tors. theta energy: -22.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -478.504816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.504816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.504816 (E_RNA) where: Base-Base interactions energy: -221.350 where: short stacking energy: -133.603 Base-Backbone interact. energy: -0.239 local terms energy: -256.915551 where: bonds (distance) C4'-P energy: -73.542 bonds (distance) P-C4' energy: -84.729 flat angles C4'-P-C4' energy: -64.785 flat angles P-C4'-P energy: -47.333 tors. eta vs tors. theta energy: 13.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1674.168525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.168525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.168525 (E_RNA) where: Base-Base interactions energy: -1138.769 where: short stacking energy: -520.073 Base-Backbone interact. energy: -1.099 local terms energy: -534.300214 where: bonds (distance) C4'-P energy: -95.216 bonds (distance) P-C4' energy: -96.944 flat angles C4'-P-C4' energy: -111.889 flat angles P-C4'-P energy: -74.154 tors. eta vs tors. theta energy: -156.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1566.456935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.456935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.456935 (E_RNA) where: Base-Base interactions energy: -1077.899 where: short stacking energy: -460.407 Base-Backbone interact. energy: -2.497 local terms energy: -486.061637 where: bonds (distance) C4'-P energy: -89.653 bonds (distance) P-C4' energy: -94.004 flat angles C4'-P-C4' energy: -108.245 flat angles P-C4'-P energy: -62.643 tors. eta vs tors. theta energy: -131.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1492.624386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.624386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.624386 (E_RNA) where: Base-Base interactions energy: -1016.220 where: short stacking energy: -426.402 Base-Backbone interact. energy: -1.177 local terms energy: -475.227652 where: bonds (distance) C4'-P energy: -93.211 bonds (distance) P-C4' energy: -92.597 flat angles C4'-P-C4' energy: -97.909 flat angles P-C4'-P energy: -63.953 tors. eta vs tors. theta energy: -127.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1459.479308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.479308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.479308 (E_RNA) where: Base-Base interactions energy: -1003.122 where: short stacking energy: -449.776 Base-Backbone interact. energy: -0.896 local terms energy: -455.461397 where: bonds (distance) C4'-P energy: -93.660 bonds (distance) P-C4' energy: -83.253 flat angles C4'-P-C4' energy: -89.930 flat angles P-C4'-P energy: -62.613 tors. eta vs tors. theta energy: -126.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1276.980432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.980432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.980432 (E_RNA) where: Base-Base interactions energy: -852.497 where: short stacking energy: -375.783 Base-Backbone interact. energy: -3.151 local terms energy: -421.332346 where: bonds (distance) C4'-P energy: -87.317 bonds (distance) P-C4' energy: -84.449 flat angles C4'-P-C4' energy: -96.316 flat angles P-C4'-P energy: -52.356 tors. eta vs tors. theta energy: -100.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1083.078144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.078144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.078144 (E_RNA) where: Base-Base interactions energy: -690.863 where: short stacking energy: -340.732 Base-Backbone interact. energy: 0.957 local terms energy: -393.172007 where: bonds (distance) C4'-P energy: -74.587 bonds (distance) P-C4' energy: -103.387 flat angles C4'-P-C4' energy: -80.191 flat angles P-C4'-P energy: -52.715 tors. eta vs tors. theta energy: -82.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -928.310213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.310213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.310213 (E_RNA) where: Base-Base interactions energy: -579.463 where: short stacking energy: -284.876 Base-Backbone interact. energy: -1.219 local terms energy: -347.628162 where: bonds (distance) C4'-P energy: -73.841 bonds (distance) P-C4' energy: -84.161 flat angles C4'-P-C4' energy: -73.982 flat angles P-C4'-P energy: -51.362 tors. eta vs tors. theta energy: -64.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -708.552445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.552445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.552445 (E_RNA) where: Base-Base interactions energy: -416.398 where: short stacking energy: -225.729 Base-Backbone interact. energy: -3.216 local terms energy: -288.938214 where: bonds (distance) C4'-P energy: -71.667 bonds (distance) P-C4' energy: -77.042 flat angles C4'-P-C4' energy: -58.604 flat angles P-C4'-P energy: -46.726 tors. eta vs tors. theta energy: -34.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -651.945875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.945875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.945875 (E_RNA) where: Base-Base interactions energy: -361.211 where: short stacking energy: -206.246 Base-Backbone interact. energy: -1.129 local terms energy: -289.605804 where: bonds (distance) C4'-P energy: -74.598 bonds (distance) P-C4' energy: -77.260 flat angles C4'-P-C4' energy: -65.581 flat angles P-C4'-P energy: -44.140 tors. eta vs tors. theta energy: -28.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -482.525710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.525710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.525710 (E_RNA) where: Base-Base interactions energy: -238.403 where: short stacking energy: -156.763 Base-Backbone interact. energy: 3.353 local terms energy: -247.475201 where: bonds (distance) C4'-P energy: -80.098 bonds (distance) P-C4' energy: -71.032 flat angles C4'-P-C4' energy: -55.520 flat angles P-C4'-P energy: -27.651 tors. eta vs tors. theta energy: -13.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1682.424988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.424988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.424988 (E_RNA) where: Base-Base interactions energy: -1145.532 where: short stacking energy: -508.885 Base-Backbone interact. energy: -2.499 local terms energy: -534.393798 where: bonds (distance) C4'-P energy: -89.067 bonds (distance) P-C4' energy: -96.226 flat angles C4'-P-C4' energy: -113.699 flat angles P-C4'-P energy: -69.125 tors. eta vs tors. theta energy: -166.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1565.456613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.456613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.456613 (E_RNA) where: Base-Base interactions energy: -1075.107 where: short stacking energy: -456.966 Base-Backbone interact. energy: -0.035 local terms energy: -490.314676 where: bonds (distance) C4'-P energy: -86.712 bonds (distance) P-C4' energy: -92.475 flat angles C4'-P-C4' energy: -107.678 flat angles P-C4'-P energy: -71.971 tors. eta vs tors. theta energy: -131.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1533.759480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.759480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.759480 (E_RNA) where: Base-Base interactions energy: -1048.739 where: short stacking energy: -454.601 Base-Backbone interact. energy: -2.895 local terms energy: -482.125710 where: bonds (distance) C4'-P energy: -89.702 bonds (distance) P-C4' energy: -102.371 flat angles C4'-P-C4' energy: -94.063 flat angles P-C4'-P energy: -58.887 tors. eta vs tors. theta energy: -137.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1437.936564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.936564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.936564 (E_RNA) where: Base-Base interactions energy: -990.041 where: short stacking energy: -441.268 Base-Backbone interact. energy: -1.446 local terms energy: -446.449653 where: bonds (distance) C4'-P energy: -76.997 bonds (distance) P-C4' energy: -83.015 flat angles C4'-P-C4' energy: -100.561 flat angles P-C4'-P energy: -62.099 tors. eta vs tors. theta energy: -123.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1230.577190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.577190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.577190 (E_RNA) where: Base-Base interactions energy: -780.486 where: short stacking energy: -380.584 Base-Backbone interact. energy: -0.391 local terms energy: -449.699864 where: bonds (distance) C4'-P energy: -98.355 bonds (distance) P-C4' energy: -92.108 flat angles C4'-P-C4' energy: -90.317 flat angles P-C4'-P energy: -66.878 tors. eta vs tors. theta energy: -102.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1088.175280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.175280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.175280 (E_RNA) where: Base-Base interactions energy: -704.211 where: short stacking energy: -315.138 Base-Backbone interact. energy: -2.595 local terms energy: -381.369338 where: bonds (distance) C4'-P energy: -82.354 bonds (distance) P-C4' energy: -85.057 flat angles C4'-P-C4' energy: -79.818 flat angles P-C4'-P energy: -50.276 tors. eta vs tors. theta energy: -83.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -918.369071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.369071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.369071 (E_RNA) where: Base-Base interactions energy: -567.867 where: short stacking energy: -276.151 Base-Backbone interact. energy: -2.289 local terms energy: -348.213309 where: bonds (distance) C4'-P energy: -72.991 bonds (distance) P-C4' energy: -80.574 flat angles C4'-P-C4' energy: -77.307 flat angles P-C4'-P energy: -51.107 tors. eta vs tors. theta energy: -66.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -796.350087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.350087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.350087 (E_RNA) where: Base-Base interactions energy: -474.517 where: short stacking energy: -230.628 Base-Backbone interact. energy: -2.179 local terms energy: -319.654258 where: bonds (distance) C4'-P energy: -87.313 bonds (distance) P-C4' energy: -78.593 flat angles C4'-P-C4' energy: -74.206 flat angles P-C4'-P energy: -46.657 tors. eta vs tors. theta energy: -32.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -618.164728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.164728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.164728 (E_RNA) where: Base-Base interactions energy: -339.406 where: short stacking energy: -205.670 Base-Backbone interact. energy: 0.021 local terms energy: -278.780262 where: bonds (distance) C4'-P energy: -62.373 bonds (distance) P-C4' energy: -64.646 flat angles C4'-P-C4' energy: -76.694 flat angles P-C4'-P energy: -54.721 tors. eta vs tors. theta energy: -20.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -448.280425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.280425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.280425 (E_RNA) where: Base-Base interactions energy: -210.954 where: short stacking energy: -142.590 Base-Backbone interact. energy: -2.163 local terms energy: -235.163225 where: bonds (distance) C4'-P energy: -80.938 bonds (distance) P-C4' energy: -58.796 flat angles C4'-P-C4' energy: -68.933 flat angles P-C4'-P energy: -45.718 tors. eta vs tors. theta energy: 19.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1688.759576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.759576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.759576 (E_RNA) where: Base-Base interactions energy: -1146.154 where: short stacking energy: -499.336 Base-Backbone interact. energy: -0.536 local terms energy: -542.069825 where: bonds (distance) C4'-P energy: -107.208 bonds (distance) P-C4' energy: -92.427 flat angles C4'-P-C4' energy: -111.210 flat angles P-C4'-P energy: -80.317 tors. eta vs tors. theta energy: -150.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1563.600313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.600313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.600313 (E_RNA) where: Base-Base interactions energy: -1071.860 where: short stacking energy: -458.342 Base-Backbone interact. energy: -0.154 local terms energy: -491.585910 where: bonds (distance) C4'-P energy: -86.995 bonds (distance) P-C4' energy: -91.592 flat angles C4'-P-C4' energy: -113.150 flat angles P-C4'-P energy: -75.386 tors. eta vs tors. theta energy: -124.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1538.475598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.475598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.475598 (E_RNA) where: Base-Base interactions energy: -1047.109 where: short stacking energy: -434.723 Base-Backbone interact. energy: -3.838 local terms energy: -487.527977 where: bonds (distance) C4'-P energy: -91.648 bonds (distance) P-C4' energy: -86.424 flat angles C4'-P-C4' energy: -98.901 flat angles P-C4'-P energy: -78.621 tors. eta vs tors. theta energy: -131.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1415.066874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.066874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.066874 (E_RNA) where: Base-Base interactions energy: -959.435 where: short stacking energy: -428.295 Base-Backbone interact. energy: -2.716 local terms energy: -452.915645 where: bonds (distance) C4'-P energy: -95.425 bonds (distance) P-C4' energy: -78.140 flat angles C4'-P-C4' energy: -105.924 flat angles P-C4'-P energy: -61.430 tors. eta vs tors. theta energy: -111.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1238.485863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.485863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.485863 (E_RNA) where: Base-Base interactions energy: -836.437 where: short stacking energy: -378.025 Base-Backbone interact. energy: 0.552 local terms energy: -402.600326 where: bonds (distance) C4'-P energy: -64.173 bonds (distance) P-C4' energy: -87.994 flat angles C4'-P-C4' energy: -83.318 flat angles P-C4'-P energy: -60.130 tors. eta vs tors. theta energy: -106.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1106.041373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.041373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.041373 (E_RNA) where: Base-Base interactions energy: -714.403 where: short stacking energy: -350.688 Base-Backbone interact. energy: 5.003 local terms energy: -396.641439 where: bonds (distance) C4'-P energy: -70.975 bonds (distance) P-C4' energy: -74.131 flat angles C4'-P-C4' energy: -89.206 flat angles P-C4'-P energy: -67.757 tors. eta vs tors. theta energy: -94.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -977.648211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.648211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.648211 (E_RNA) where: Base-Base interactions energy: -606.328 where: short stacking energy: -285.590 Base-Backbone interact. energy: -3.269 local terms energy: -368.051486 where: bonds (distance) C4'-P energy: -81.460 bonds (distance) P-C4' energy: -86.466 flat angles C4'-P-C4' energy: -78.537 flat angles P-C4'-P energy: -56.727 tors. eta vs tors. theta energy: -64.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -749.163682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.163682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.163682 (E_RNA) where: Base-Base interactions energy: -447.459 where: short stacking energy: -206.771 Base-Backbone interact. energy: -3.463 local terms energy: -298.241724 where: bonds (distance) C4'-P energy: -84.079 bonds (distance) P-C4' energy: -70.690 flat angles C4'-P-C4' energy: -73.350 flat angles P-C4'-P energy: -31.544 tors. eta vs tors. theta energy: -38.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -573.933370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.933370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.933370 (E_RNA) where: Base-Base interactions energy: -295.200 where: short stacking energy: -163.125 Base-Backbone interact. energy: 1.210 local terms energy: -279.942702 where: bonds (distance) C4'-P energy: -78.398 bonds (distance) P-C4' energy: -84.561 flat angles C4'-P-C4' energy: -72.827 flat angles P-C4'-P energy: -31.108 tors. eta vs tors. theta energy: -13.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -401.103415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.103415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.103415 (E_RNA) where: Base-Base interactions energy: -158.275 where: short stacking energy: -119.863 Base-Backbone interact. energy: 0.551 local terms energy: -243.379321 where: bonds (distance) C4'-P energy: -61.852 bonds (distance) P-C4' energy: -86.121 flat angles C4'-P-C4' energy: -58.633 flat angles P-C4'-P energy: -42.328 tors. eta vs tors. theta energy: 5.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1704.096190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.096190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.096190 (E_RNA) where: Base-Base interactions energy: -1168.121 where: short stacking energy: -510.513 Base-Backbone interact. energy: -1.132 local terms energy: -534.842933 where: bonds (distance) C4'-P energy: -89.516 bonds (distance) P-C4' energy: -94.436 flat angles C4'-P-C4' energy: -108.312 flat angles P-C4'-P energy: -76.991 tors. eta vs tors. theta energy: -165.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1549.039767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.039767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.039767 (E_RNA) where: Base-Base interactions energy: -1059.071 where: short stacking energy: -447.666 Base-Backbone interact. energy: -2.721 local terms energy: -487.247334 where: bonds (distance) C4'-P energy: -86.294 bonds (distance) P-C4' energy: -93.775 flat angles C4'-P-C4' energy: -103.892 flat angles P-C4'-P energy: -68.846 tors. eta vs tors. theta energy: -134.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1520.034332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.034332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.034332 (E_RNA) where: Base-Base interactions energy: -1033.311 where: short stacking energy: -448.421 Base-Backbone interact. energy: 0.952 local terms energy: -487.675656 where: bonds (distance) C4'-P energy: -88.522 bonds (distance) P-C4' energy: -94.396 flat angles C4'-P-C4' energy: -107.001 flat angles P-C4'-P energy: -65.406 tors. eta vs tors. theta energy: -132.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1454.761777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.761777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.761777 (E_RNA) where: Base-Base interactions energy: -1002.142 where: short stacking energy: -412.006 Base-Backbone interact. energy: -3.124 local terms energy: -449.496412 where: bonds (distance) C4'-P energy: -94.961 bonds (distance) P-C4' energy: -84.294 flat angles C4'-P-C4' energy: -96.338 flat angles P-C4'-P energy: -61.780 tors. eta vs tors. theta energy: -112.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1311.902199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.902199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.902199 (E_RNA) where: Base-Base interactions energy: -877.988 where: short stacking energy: -397.344 Base-Backbone interact. energy: -0.213 local terms energy: -433.701391 where: bonds (distance) C4'-P energy: -71.289 bonds (distance) P-C4' energy: -95.135 flat angles C4'-P-C4' energy: -95.730 flat angles P-C4'-P energy: -64.406 tors. eta vs tors. theta energy: -107.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1068.430750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.430750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.430750 (E_RNA) where: Base-Base interactions energy: -705.370 where: short stacking energy: -339.069 Base-Backbone interact. energy: 1.271 local terms energy: -364.331118 where: bonds (distance) C4'-P energy: -73.065 bonds (distance) P-C4' energy: -62.136 flat angles C4'-P-C4' energy: -98.075 flat angles P-C4'-P energy: -55.714 tors. eta vs tors. theta energy: -75.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -930.191930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.191930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.191930 (E_RNA) where: Base-Base interactions energy: -567.321 where: short stacking energy: -268.605 Base-Backbone interact. energy: -0.442 local terms energy: -362.429687 where: bonds (distance) C4'-P energy: -69.241 bonds (distance) P-C4' energy: -97.597 flat angles C4'-P-C4' energy: -71.762 flat angles P-C4'-P energy: -54.783 tors. eta vs tors. theta energy: -69.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -743.725581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.725581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.725581 (E_RNA) where: Base-Base interactions energy: -457.722 where: short stacking energy: -241.855 Base-Backbone interact. energy: -1.479 local terms energy: -284.524592 where: bonds (distance) C4'-P energy: -64.560 bonds (distance) P-C4' energy: -79.754 flat angles C4'-P-C4' energy: -77.799 flat angles P-C4'-P energy: -27.822 tors. eta vs tors. theta energy: -34.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -663.678797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.678797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.678797 (E_RNA) where: Base-Base interactions energy: -359.739 where: short stacking energy: -193.584 Base-Backbone interact. energy: 3.115 local terms energy: -307.055112 where: bonds (distance) C4'-P energy: -75.636 bonds (distance) P-C4' energy: -88.970 flat angles C4'-P-C4' energy: -69.410 flat angles P-C4'-P energy: -46.136 tors. eta vs tors. theta energy: -26.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -382.946665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.946665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.946665 (E_RNA) where: Base-Base interactions energy: -156.140 where: short stacking energy: -97.173 Base-Backbone interact. energy: -0.221 local terms energy: -226.585900 where: bonds (distance) C4'-P energy: -51.393 bonds (distance) P-C4' energy: -86.266 flat angles C4'-P-C4' energy: -54.919 flat angles P-C4'-P energy: -46.116 tors. eta vs tors. theta energy: 12.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1691.536738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.536738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.536738 (E_RNA) where: Base-Base interactions energy: -1145.414 where: short stacking energy: -500.273 Base-Backbone interact. energy: -0.774 local terms energy: -545.348553 where: bonds (distance) C4'-P energy: -94.571 bonds (distance) P-C4' energy: -105.465 flat angles C4'-P-C4' energy: -109.996 flat angles P-C4'-P energy: -76.963 tors. eta vs tors. theta energy: -158.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1575.902744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.902744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.902744 (E_RNA) where: Base-Base interactions energy: -1081.387 where: short stacking energy: -470.982 Base-Backbone interact. energy: -3.020 local terms energy: -491.495763 where: bonds (distance) C4'-P energy: -94.297 bonds (distance) P-C4' energy: -83.066 flat angles C4'-P-C4' energy: -105.731 flat angles P-C4'-P energy: -69.792 tors. eta vs tors. theta energy: -138.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1513.604575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.604575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.604575 (E_RNA) where: Base-Base interactions energy: -1047.069 where: short stacking energy: -460.412 Base-Backbone interact. energy: -2.371 local terms energy: -464.164416 where: bonds (distance) C4'-P energy: -95.983 bonds (distance) P-C4' energy: -76.886 flat angles C4'-P-C4' energy: -98.026 flat angles P-C4'-P energy: -64.635 tors. eta vs tors. theta energy: -128.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1474.620394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.620394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.620394 (E_RNA) where: Base-Base interactions energy: -994.379 where: short stacking energy: -437.464 Base-Backbone interact. energy: -0.400 local terms energy: -479.840671 where: bonds (distance) C4'-P energy: -92.796 bonds (distance) P-C4' energy: -91.670 flat angles C4'-P-C4' energy: -109.619 flat angles P-C4'-P energy: -58.466 tors. eta vs tors. theta energy: -127.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1329.135905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.135905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.135905 (E_RNA) where: Base-Base interactions energy: -902.950 where: short stacking energy: -403.284 Base-Backbone interact. energy: -0.811 local terms energy: -425.374477 where: bonds (distance) C4'-P energy: -80.561 bonds (distance) P-C4' energy: -80.120 flat angles C4'-P-C4' energy: -97.917 flat angles P-C4'-P energy: -50.440 tors. eta vs tors. theta energy: -116.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1070.965330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.965330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.965330 (E_RNA) where: Base-Base interactions energy: -688.171 where: short stacking energy: -320.122 Base-Backbone interact. energy: -3.897 local terms energy: -378.897447 where: bonds (distance) C4'-P energy: -79.246 bonds (distance) P-C4' energy: -85.606 flat angles C4'-P-C4' energy: -88.857 flat angles P-C4'-P energy: -48.003 tors. eta vs tors. theta energy: -77.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -908.429386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.429386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.429386 (E_RNA) where: Base-Base interactions energy: -570.038 where: short stacking energy: -283.756 Base-Backbone interact. energy: -4.709 local terms energy: -333.682808 where: bonds (distance) C4'-P energy: -74.241 bonds (distance) P-C4' energy: -74.024 flat angles C4'-P-C4' energy: -82.848 flat angles P-C4'-P energy: -43.872 tors. eta vs tors. theta energy: -58.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -788.378773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.378773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.378773 (E_RNA) where: Base-Base interactions energy: -477.926 where: short stacking energy: -249.045 Base-Backbone interact. energy: -1.771 local terms energy: -308.681396 where: bonds (distance) C4'-P energy: -63.954 bonds (distance) P-C4' energy: -72.899 flat angles C4'-P-C4' energy: -82.879 flat angles P-C4'-P energy: -41.720 tors. eta vs tors. theta energy: -47.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -695.467632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.467632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.467632 (E_RNA) where: Base-Base interactions energy: -378.457 where: short stacking energy: -190.889 Base-Backbone interact. energy: 2.089 local terms energy: -319.098812 where: bonds (distance) C4'-P energy: -81.957 bonds (distance) P-C4' energy: -93.349 flat angles C4'-P-C4' energy: -77.256 flat angles P-C4'-P energy: -46.475 tors. eta vs tors. theta energy: -20.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -378.282709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.282709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.282709 (E_RNA) where: Base-Base interactions energy: -132.727 where: short stacking energy: -102.728 Base-Backbone interact. energy: 2.330 local terms energy: -247.886001 where: bonds (distance) C4'-P energy: -69.375 bonds (distance) P-C4' energy: -81.829 flat angles C4'-P-C4' energy: -70.824 flat angles P-C4'-P energy: -49.463 tors. eta vs tors. theta energy: 23.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1693.575460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.575460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.575460 (E_RNA) where: Base-Base interactions energy: -1154.652 where: short stacking energy: -519.455 Base-Backbone interact. energy: -1.461 local terms energy: -537.462771 where: bonds (distance) C4'-P energy: -97.433 bonds (distance) P-C4' energy: -91.193 flat angles C4'-P-C4' energy: -111.989 flat angles P-C4'-P energy: -71.770 tors. eta vs tors. theta energy: -165.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1551.436255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.436255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.436255 (E_RNA) where: Base-Base interactions energy: -1061.346 where: short stacking energy: -454.307 Base-Backbone interact. energy: -3.774 local terms energy: -486.316216 where: bonds (distance) C4'-P energy: -94.316 bonds (distance) P-C4' energy: -94.454 flat angles C4'-P-C4' energy: -105.506 flat angles P-C4'-P energy: -60.596 tors. eta vs tors. theta energy: -131.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1504.469543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.469543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.469543 (E_RNA) where: Base-Base interactions energy: -1027.094 where: short stacking energy: -460.564 Base-Backbone interact. energy: -4.909 local terms energy: -472.466379 where: bonds (distance) C4'-P energy: -84.052 bonds (distance) P-C4' energy: -89.965 flat angles C4'-P-C4' energy: -106.609 flat angles P-C4'-P energy: -67.247 tors. eta vs tors. theta energy: -124.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1488.756713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.756713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.756713 (E_RNA) where: Base-Base interactions energy: -1019.845 where: short stacking energy: -443.722 Base-Backbone interact. energy: -1.273 local terms energy: -467.638901 where: bonds (distance) C4'-P energy: -87.187 bonds (distance) P-C4' energy: -91.212 flat angles C4'-P-C4' energy: -105.072 flat angles P-C4'-P energy: -67.988 tors. eta vs tors. theta energy: -116.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1338.842828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.842828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.842828 (E_RNA) where: Base-Base interactions energy: -900.500 where: short stacking energy: -424.093 Base-Backbone interact. energy: -0.757 local terms energy: -437.585501 where: bonds (distance) C4'-P energy: -84.201 bonds (distance) P-C4' energy: -76.758 flat angles C4'-P-C4' energy: -93.592 flat angles P-C4'-P energy: -70.064 tors. eta vs tors. theta energy: -112.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1088.952196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.952196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.952196 (E_RNA) where: Base-Base interactions energy: -685.209 where: short stacking energy: -340.060 Base-Backbone interact. energy: -2.358 local terms energy: -401.385540 where: bonds (distance) C4'-P energy: -84.536 bonds (distance) P-C4' energy: -85.778 flat angles C4'-P-C4' energy: -88.506 flat angles P-C4'-P energy: -59.415 tors. eta vs tors. theta energy: -83.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -938.137311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.137311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.137311 (E_RNA) where: Base-Base interactions energy: -584.985 where: short stacking energy: -272.206 Base-Backbone interact. energy: -2.607 local terms energy: -350.544516 where: bonds (distance) C4'-P energy: -77.058 bonds (distance) P-C4' energy: -77.696 flat angles C4'-P-C4' energy: -79.138 flat angles P-C4'-P energy: -62.515 tors. eta vs tors. theta energy: -54.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -768.840154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.840154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.840154 (E_RNA) where: Base-Base interactions energy: -461.233 where: short stacking energy: -221.899 Base-Backbone interact. energy: 0.853 local terms energy: -308.460556 where: bonds (distance) C4'-P energy: -85.857 bonds (distance) P-C4' energy: -81.186 flat angles C4'-P-C4' energy: -70.047 flat angles P-C4'-P energy: -37.864 tors. eta vs tors. theta energy: -33.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -663.873974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.873974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.873974 (E_RNA) where: Base-Base interactions energy: -379.635 where: short stacking energy: -212.802 Base-Backbone interact. energy: 0.561 local terms energy: -284.800243 where: bonds (distance) C4'-P energy: -67.665 bonds (distance) P-C4' energy: -80.150 flat angles C4'-P-C4' energy: -65.276 flat angles P-C4'-P energy: -45.411 tors. eta vs tors. theta energy: -26.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -380.827813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.827813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.827813 (E_RNA) where: Base-Base interactions energy: -142.835 where: short stacking energy: -98.721 Base-Backbone interact. energy: 1.232 local terms energy: -239.224861 where: bonds (distance) C4'-P energy: -70.411 bonds (distance) P-C4' energy: -79.807 flat angles C4'-P-C4' energy: -49.386 flat angles P-C4'-P energy: -40.232 tors. eta vs tors. theta energy: 0.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1689.701045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.701045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.701045 (E_RNA) where: Base-Base interactions energy: -1153.516 where: short stacking energy: -514.365 Base-Backbone interact. energy: -3.117 local terms energy: -533.067616 where: bonds (distance) C4'-P energy: -91.133 bonds (distance) P-C4' energy: -104.942 flat angles C4'-P-C4' energy: -104.002 flat angles P-C4'-P energy: -72.601 tors. eta vs tors. theta energy: -160.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1564.119594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.119594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.119594 (E_RNA) where: Base-Base interactions energy: -1069.237 where: short stacking energy: -475.300 Base-Backbone interact. energy: -3.073 local terms energy: -491.809412 where: bonds (distance) C4'-P energy: -81.454 bonds (distance) P-C4' energy: -97.581 flat angles C4'-P-C4' energy: -107.561 flat angles P-C4'-P energy: -65.691 tors. eta vs tors. theta energy: -139.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1501.754562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.754562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.754562 (E_RNA) where: Base-Base interactions energy: -1010.298 where: short stacking energy: -452.064 Base-Backbone interact. energy: -2.109 local terms energy: -489.347114 where: bonds (distance) C4'-P energy: -89.842 bonds (distance) P-C4' energy: -99.165 flat angles C4'-P-C4' energy: -105.102 flat angles P-C4'-P energy: -69.703 tors. eta vs tors. theta energy: -125.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1459.094451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.094451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.094451 (E_RNA) where: Base-Base interactions energy: -998.180 where: short stacking energy: -453.734 Base-Backbone interact. energy: 0.944 local terms energy: -461.858704 where: bonds (distance) C4'-P energy: -83.151 bonds (distance) P-C4' energy: -92.452 flat angles C4'-P-C4' energy: -96.223 flat angles P-C4'-P energy: -65.357 tors. eta vs tors. theta energy: -124.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1302.121747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.121747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.121747 (E_RNA) where: Base-Base interactions energy: -878.335 where: short stacking energy: -390.297 Base-Backbone interact. energy: 3.140 local terms energy: -426.926351 where: bonds (distance) C4'-P energy: -82.850 bonds (distance) P-C4' energy: -92.917 flat angles C4'-P-C4' energy: -100.322 flat angles P-C4'-P energy: -43.799 tors. eta vs tors. theta energy: -107.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1058.394544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.394544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.394544 (E_RNA) where: Base-Base interactions energy: -694.133 where: short stacking energy: -334.935 Base-Backbone interact. energy: -0.571 local terms energy: -363.691174 where: bonds (distance) C4'-P energy: -69.574 bonds (distance) P-C4' energy: -99.764 flat angles C4'-P-C4' energy: -71.133 flat angles P-C4'-P energy: -51.623 tors. eta vs tors. theta energy: -71.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -926.953726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.953726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.953726 (E_RNA) where: Base-Base interactions energy: -575.790 where: short stacking energy: -286.231 Base-Backbone interact. energy: -1.660 local terms energy: -349.504270 where: bonds (distance) C4'-P energy: -74.144 bonds (distance) P-C4' energy: -80.633 flat angles C4'-P-C4' energy: -90.599 flat angles P-C4'-P energy: -52.645 tors. eta vs tors. theta energy: -51.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -745.186457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.186457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.186457 (E_RNA) where: Base-Base interactions energy: -403.295 where: short stacking energy: -207.953 Base-Backbone interact. energy: -2.339 local terms energy: -339.552570 where: bonds (distance) C4'-P energy: -84.673 bonds (distance) P-C4' energy: -69.180 flat angles C4'-P-C4' energy: -84.293 flat angles P-C4'-P energy: -59.498 tors. eta vs tors. theta energy: -41.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -623.184158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.184158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.184158 (E_RNA) where: Base-Base interactions energy: -334.553 where: short stacking energy: -185.662 Base-Backbone interact. energy: -1.185 local terms energy: -287.446497 where: bonds (distance) C4'-P energy: -79.483 bonds (distance) P-C4' energy: -70.873 flat angles C4'-P-C4' energy: -73.375 flat angles P-C4'-P energy: -46.075 tors. eta vs tors. theta energy: -17.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -389.831488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.831488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.831488 (E_RNA) where: Base-Base interactions energy: -159.821 where: short stacking energy: -117.113 Base-Backbone interact. energy: 2.130 local terms energy: -232.140895 where: bonds (distance) C4'-P energy: -75.523 bonds (distance) P-C4' energy: -68.959 flat angles C4'-P-C4' energy: -68.758 flat angles P-C4'-P energy: -28.533 tors. eta vs tors. theta energy: 9.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1671.458645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.458645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.458645 (E_RNA) where: Base-Base interactions energy: -1153.879 where: short stacking energy: -493.433 Base-Backbone interact. energy: -1.128 local terms energy: -516.451139 where: bonds (distance) C4'-P energy: -78.678 bonds (distance) P-C4' energy: -96.388 flat angles C4'-P-C4' energy: -110.038 flat angles P-C4'-P energy: -76.960 tors. eta vs tors. theta energy: -154.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1563.728303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.728303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.728303 (E_RNA) where: Base-Base interactions energy: -1074.881 where: short stacking energy: -462.962 Base-Backbone interact. energy: -5.045 local terms energy: -483.801547 where: bonds (distance) C4'-P energy: -96.806 bonds (distance) P-C4' energy: -86.570 flat angles C4'-P-C4' energy: -107.067 flat angles P-C4'-P energy: -60.823 tors. eta vs tors. theta energy: -132.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1500.366584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.366584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.366584 (E_RNA) where: Base-Base interactions energy: -1051.718 where: short stacking energy: -464.763 Base-Backbone interact. energy: 1.320 local terms energy: -449.969208 where: bonds (distance) C4'-P energy: -76.097 bonds (distance) P-C4' energy: -94.601 flat angles C4'-P-C4' energy: -93.154 flat angles P-C4'-P energy: -64.262 tors. eta vs tors. theta energy: -121.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1456.829083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.829083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.829083 (E_RNA) where: Base-Base interactions energy: -974.291 where: short stacking energy: -433.906 Base-Backbone interact. energy: -1.064 local terms energy: -481.474462 where: bonds (distance) C4'-P energy: -97.020 bonds (distance) P-C4' energy: -97.908 flat angles C4'-P-C4' energy: -100.338 flat angles P-C4'-P energy: -66.182 tors. eta vs tors. theta energy: -120.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1276.501594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.501594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.501594 (E_RNA) where: Base-Base interactions energy: -864.365 where: short stacking energy: -387.312 Base-Backbone interact. energy: -1.056 local terms energy: -411.081176 where: bonds (distance) C4'-P energy: -81.666 bonds (distance) P-C4' energy: -69.873 flat angles C4'-P-C4' energy: -88.905 flat angles P-C4'-P energy: -70.499 tors. eta vs tors. theta energy: -100.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1046.112434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.112434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.112434 (E_RNA) where: Base-Base interactions energy: -676.568 where: short stacking energy: -337.359 Base-Backbone interact. energy: -2.112 local terms energy: -367.432225 where: bonds (distance) C4'-P energy: -55.890 bonds (distance) P-C4' energy: -80.108 flat angles C4'-P-C4' energy: -87.889 flat angles P-C4'-P energy: -65.388 tors. eta vs tors. theta energy: -78.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -915.787503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.787503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.787503 (E_RNA) where: Base-Base interactions energy: -560.488 where: short stacking energy: -273.044 Base-Backbone interact. energy: -0.031 local terms energy: -355.267654 where: bonds (distance) C4'-P energy: -59.174 bonds (distance) P-C4' energy: -81.855 flat angles C4'-P-C4' energy: -101.207 flat angles P-C4'-P energy: -64.901 tors. eta vs tors. theta energy: -48.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -738.335905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.335905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.335905 (E_RNA) where: Base-Base interactions energy: -438.587 where: short stacking energy: -204.203 Base-Backbone interact. energy: -3.895 local terms energy: -295.853528 where: bonds (distance) C4'-P energy: -80.352 bonds (distance) P-C4' energy: -68.785 flat angles C4'-P-C4' energy: -81.738 flat angles P-C4'-P energy: -31.778 tors. eta vs tors. theta energy: -33.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -606.969112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.969112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.969112 (E_RNA) where: Base-Base interactions energy: -323.225 where: short stacking energy: -182.660 Base-Backbone interact. energy: 1.179 local terms energy: -284.922554 where: bonds (distance) C4'-P energy: -88.602 bonds (distance) P-C4' energy: -98.223 flat angles C4'-P-C4' energy: -60.895 flat angles P-C4'-P energy: -36.547 tors. eta vs tors. theta energy: -0.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -376.211853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.211853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.211853 (E_RNA) where: Base-Base interactions energy: -123.518 where: short stacking energy: -98.742 Base-Backbone interact. energy: -2.395 local terms energy: -250.299486 where: bonds (distance) C4'-P energy: -78.700 bonds (distance) P-C4' energy: -88.266 flat angles C4'-P-C4' energy: -54.829 flat angles P-C4'-P energy: -43.887 tors. eta vs tors. theta energy: 15.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1688.004320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.004320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.004320 (E_RNA) where: Base-Base interactions energy: -1139.864 where: short stacking energy: -502.689 Base-Backbone interact. energy: -0.509 local terms energy: -547.630814 where: bonds (distance) C4'-P energy: -95.219 bonds (distance) P-C4' energy: -105.859 flat angles C4'-P-C4' energy: -115.180 flat angles P-C4'-P energy: -78.571 tors. eta vs tors. theta energy: -152.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1586.311325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.311325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.311325 (E_RNA) where: Base-Base interactions energy: -1079.808 where: short stacking energy: -463.880 Base-Backbone interact. energy: -3.810 local terms energy: -502.693533 where: bonds (distance) C4'-P energy: -87.383 bonds (distance) P-C4' energy: -96.972 flat angles C4'-P-C4' energy: -107.611 flat angles P-C4'-P energy: -74.209 tors. eta vs tors. theta energy: -136.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1501.483466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.483466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.483466 (E_RNA) where: Base-Base interactions energy: -1032.349 where: short stacking energy: -471.326 Base-Backbone interact. energy: -1.643 local terms energy: -467.491980 where: bonds (distance) C4'-P energy: -87.449 bonds (distance) P-C4' energy: -84.944 flat angles C4'-P-C4' energy: -101.124 flat angles P-C4'-P energy: -66.790 tors. eta vs tors. theta energy: -127.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1438.188576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.188576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.188576 (E_RNA) where: Base-Base interactions energy: -982.277 where: short stacking energy: -428.291 Base-Backbone interact. energy: -2.631 local terms energy: -453.280507 where: bonds (distance) C4'-P energy: -90.503 bonds (distance) P-C4' energy: -75.369 flat angles C4'-P-C4' energy: -99.831 flat angles P-C4'-P energy: -66.216 tors. eta vs tors. theta energy: -121.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1325.388424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.388424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.388424 (E_RNA) where: Base-Base interactions energy: -887.341 where: short stacking energy: -402.389 Base-Backbone interact. energy: -2.092 local terms energy: -435.956031 where: bonds (distance) C4'-P energy: -74.616 bonds (distance) P-C4' energy: -85.505 flat angles C4'-P-C4' energy: -95.772 flat angles P-C4'-P energy: -62.473 tors. eta vs tors. theta energy: -117.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1068.855663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.855663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.855663 (E_RNA) where: Base-Base interactions energy: -679.077 where: short stacking energy: -322.968 Base-Backbone interact. energy: 3.530 local terms energy: -393.308076 where: bonds (distance) C4'-P energy: -75.464 bonds (distance) P-C4' energy: -79.781 flat angles C4'-P-C4' energy: -97.796 flat angles P-C4'-P energy: -56.528 tors. eta vs tors. theta energy: -83.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -904.347576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.347576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.347576 (E_RNA) where: Base-Base interactions energy: -549.362 where: short stacking energy: -283.397 Base-Backbone interact. energy: -1.128 local terms energy: -353.857338 where: bonds (distance) C4'-P energy: -74.952 bonds (distance) P-C4' energy: -90.262 flat angles C4'-P-C4' energy: -75.214 flat angles P-C4'-P energy: -44.693 tors. eta vs tors. theta energy: -68.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -788.827516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.827516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.827516 (E_RNA) where: Base-Base interactions energy: -467.503 where: short stacking energy: -226.574 Base-Backbone interact. energy: -0.603 local terms energy: -320.721965 where: bonds (distance) C4'-P energy: -66.815 bonds (distance) P-C4' energy: -84.130 flat angles C4'-P-C4' energy: -81.490 flat angles P-C4'-P energy: -52.680 tors. eta vs tors. theta energy: -35.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -639.205836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.205836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.205836 (E_RNA) where: Base-Base interactions energy: -334.426 where: short stacking energy: -175.482 Base-Backbone interact. energy: 3.154 local terms energy: -307.933916 where: bonds (distance) C4'-P energy: -69.400 bonds (distance) P-C4' energy: -94.366 flat angles C4'-P-C4' energy: -80.858 flat angles P-C4'-P energy: -34.076 tors. eta vs tors. theta energy: -29.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -391.333650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.333650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.333650 (E_RNA) where: Base-Base interactions energy: -127.746 where: short stacking energy: -104.916 Base-Backbone interact. energy: -2.366 local terms energy: -261.221969 where: bonds (distance) C4'-P energy: -76.384 bonds (distance) P-C4' energy: -72.226 flat angles C4'-P-C4' energy: -76.459 flat angles P-C4'-P energy: -52.541 tors. eta vs tors. theta energy: 16.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1696.151611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.151611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.151611 (E_RNA) where: Base-Base interactions energy: -1164.008 where: short stacking energy: -520.666 Base-Backbone interact. energy: -2.119 local terms energy: -530.024522 where: bonds (distance) C4'-P energy: -94.918 bonds (distance) P-C4' energy: -92.216 flat angles C4'-P-C4' energy: -116.135 flat angles P-C4'-P energy: -70.546 tors. eta vs tors. theta energy: -156.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1570.036094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.036094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.036094 (E_RNA) where: Base-Base interactions energy: -1052.416 where: short stacking energy: -483.476 Base-Backbone interact. energy: -3.927 local terms energy: -513.693197 where: bonds (distance) C4'-P energy: -94.418 bonds (distance) P-C4' energy: -98.172 flat angles C4'-P-C4' energy: -109.077 flat angles P-C4'-P energy: -72.529 tors. eta vs tors. theta energy: -139.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1501.553961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.553961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.553961 (E_RNA) where: Base-Base interactions energy: -1007.719 where: short stacking energy: -455.895 Base-Backbone interact. energy: -4.768 local terms energy: -489.066805 where: bonds (distance) C4'-P energy: -100.951 bonds (distance) P-C4' energy: -96.748 flat angles C4'-P-C4' energy: -91.719 flat angles P-C4'-P energy: -66.129 tors. eta vs tors. theta energy: -133.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1411.792533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.792533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.792533 (E_RNA) where: Base-Base interactions energy: -961.145 where: short stacking energy: -443.868 Base-Backbone interact. energy: -2.028 local terms energy: -448.619516 where: bonds (distance) C4'-P energy: -74.583 bonds (distance) P-C4' energy: -81.412 flat angles C4'-P-C4' energy: -99.595 flat angles P-C4'-P energy: -66.578 tors. eta vs tors. theta energy: -126.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1300.403708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.403708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.403708 (E_RNA) where: Base-Base interactions energy: -859.331 where: short stacking energy: -383.662 Base-Backbone interact. energy: -0.681 local terms energy: -440.391822 where: bonds (distance) C4'-P energy: -81.348 bonds (distance) P-C4' energy: -86.037 flat angles C4'-P-C4' energy: -110.921 flat angles P-C4'-P energy: -50.793 tors. eta vs tors. theta energy: -111.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1054.626547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.626547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.626547 (E_RNA) where: Base-Base interactions energy: -646.327 where: short stacking energy: -321.921 Base-Backbone interact. energy: -1.533 local terms energy: -406.766158 where: bonds (distance) C4'-P energy: -87.483 bonds (distance) P-C4' energy: -92.389 flat angles C4'-P-C4' energy: -85.674 flat angles P-C4'-P energy: -55.390 tors. eta vs tors. theta energy: -85.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -909.731345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.731345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.731345 (E_RNA) where: Base-Base interactions energy: -562.948 where: short stacking energy: -268.175 Base-Backbone interact. energy: 1.676 local terms energy: -348.459427 where: bonds (distance) C4'-P energy: -72.271 bonds (distance) P-C4' energy: -85.997 flat angles C4'-P-C4' energy: -67.139 flat angles P-C4'-P energy: -54.053 tors. eta vs tors. theta energy: -68.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -731.755051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.755051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.755051 (E_RNA) where: Base-Base interactions energy: -419.423 where: short stacking energy: -216.787 Base-Backbone interact. energy: 0.481 local terms energy: -312.812967 where: bonds (distance) C4'-P energy: -66.555 bonds (distance) P-C4' energy: -88.936 flat angles C4'-P-C4' energy: -80.321 flat angles P-C4'-P energy: -40.270 tors. eta vs tors. theta energy: -36.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -584.644962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.644962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.644962 (E_RNA) where: Base-Base interactions energy: -289.492 where: short stacking energy: -158.996 Base-Backbone interact. energy: 0.089 local terms energy: -295.241854 where: bonds (distance) C4'-P energy: -76.002 bonds (distance) P-C4' energy: -80.229 flat angles C4'-P-C4' energy: -80.495 flat angles P-C4'-P energy: -43.813 tors. eta vs tors. theta energy: -14.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -402.469951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.469951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.469951 (E_RNA) where: Base-Base interactions energy: -135.059 where: short stacking energy: -118.292 Base-Backbone interact. energy: -1.437 local terms energy: -265.974408 where: bonds (distance) C4'-P energy: -79.956 bonds (distance) P-C4' energy: -96.876 flat angles C4'-P-C4' energy: -62.427 flat angles P-C4'-P energy: -23.396 tors. eta vs tors. theta energy: -3.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1682.399742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.399742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.399742 (E_RNA) where: Base-Base interactions energy: -1142.370 where: short stacking energy: -497.135 Base-Backbone interact. energy: -1.566 local terms energy: -538.463501 where: bonds (distance) C4'-P energy: -105.738 bonds (distance) P-C4' energy: -101.965 flat angles C4'-P-C4' energy: -105.715 flat angles P-C4'-P energy: -70.066 tors. eta vs tors. theta energy: -154.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1559.117984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.117984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.117984 (E_RNA) where: Base-Base interactions energy: -1068.581 where: short stacking energy: -450.534 Base-Backbone interact. energy: 1.432 local terms energy: -491.969786 where: bonds (distance) C4'-P energy: -92.133 bonds (distance) P-C4' energy: -87.882 flat angles C4'-P-C4' energy: -96.980 flat angles P-C4'-P energy: -73.461 tors. eta vs tors. theta energy: -141.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1535.307221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.307221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.307221 (E_RNA) where: Base-Base interactions energy: -1034.921 where: short stacking energy: -457.337 Base-Backbone interact. energy: -4.798 local terms energy: -495.588141 where: bonds (distance) C4'-P energy: -89.704 bonds (distance) P-C4' energy: -105.678 flat angles C4'-P-C4' energy: -102.260 flat angles P-C4'-P energy: -70.723 tors. eta vs tors. theta energy: -127.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1432.507648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.507648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.507648 (E_RNA) where: Base-Base interactions energy: -1010.237 where: short stacking energy: -438.821 Base-Backbone interact. energy: 0.938 local terms energy: -423.208832 where: bonds (distance) C4'-P energy: -85.551 bonds (distance) P-C4' energy: -74.746 flat angles C4'-P-C4' energy: -97.599 flat angles P-C4'-P energy: -55.755 tors. eta vs tors. theta energy: -109.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1294.223001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.223001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.223001 (E_RNA) where: Base-Base interactions energy: -858.176 where: short stacking energy: -367.764 Base-Backbone interact. energy: 0.868 local terms energy: -436.915260 where: bonds (distance) C4'-P energy: -89.660 bonds (distance) P-C4' energy: -91.158 flat angles C4'-P-C4' energy: -99.117 flat angles P-C4'-P energy: -59.798 tors. eta vs tors. theta energy: -97.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1072.041190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.041190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.041190 (E_RNA) where: Base-Base interactions energy: -686.332 where: short stacking energy: -309.619 Base-Backbone interact. energy: -0.268 local terms energy: -385.441489 where: bonds (distance) C4'-P energy: -72.635 bonds (distance) P-C4' energy: -76.234 flat angles C4'-P-C4' energy: -95.402 flat angles P-C4'-P energy: -61.135 tors. eta vs tors. theta energy: -80.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -884.556095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.556095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.556095 (E_RNA) where: Base-Base interactions energy: -549.551 where: short stacking energy: -247.173 Base-Backbone interact. energy: -1.315 local terms energy: -333.690381 where: bonds (distance) C4'-P energy: -67.121 bonds (distance) P-C4' energy: -86.203 flat angles C4'-P-C4' energy: -82.501 flat angles P-C4'-P energy: -60.487 tors. eta vs tors. theta energy: -37.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -826.895024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.895024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.895024 (E_RNA) where: Base-Base interactions energy: -483.976 where: short stacking energy: -227.777 Base-Backbone interact. energy: 0.995 local terms energy: -343.914194 where: bonds (distance) C4'-P energy: -73.690 bonds (distance) P-C4' energy: -82.629 flat angles C4'-P-C4' energy: -82.064 flat angles P-C4'-P energy: -64.988 tors. eta vs tors. theta energy: -40.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -607.410490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.410490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.410490 (E_RNA) where: Base-Base interactions energy: -314.533 where: short stacking energy: -183.811 Base-Backbone interact. energy: -2.684 local terms energy: -290.193902 where: bonds (distance) C4'-P energy: -60.576 bonds (distance) P-C4' energy: -71.736 flat angles C4'-P-C4' energy: -66.158 flat angles P-C4'-P energy: -66.705 tors. eta vs tors. theta energy: -25.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -389.459285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.459285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.459285 (E_RNA) where: Base-Base interactions energy: -145.063 where: short stacking energy: -127.868 Base-Backbone interact. energy: 6.821 local terms energy: -251.216876 where: bonds (distance) C4'-P energy: -72.049 bonds (distance) P-C4' energy: -84.344 flat angles C4'-P-C4' energy: -66.296 flat angles P-C4'-P energy: -31.691 tors. eta vs tors. theta energy: 3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1678.792769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.792769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.792769 (E_RNA) where: Base-Base interactions energy: -1136.533 where: short stacking energy: -490.157 Base-Backbone interact. energy: -1.866 local terms energy: -540.393194 where: bonds (distance) C4'-P energy: -103.111 bonds (distance) P-C4' energy: -91.978 flat angles C4'-P-C4' energy: -102.833 flat angles P-C4'-P energy: -79.344 tors. eta vs tors. theta energy: -163.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1572.790450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.790450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.790450 (E_RNA) where: Base-Base interactions energy: -1068.222 where: short stacking energy: -465.340 Base-Backbone interact. energy: -3.683 local terms energy: -500.885876 where: bonds (distance) C4'-P energy: -77.635 bonds (distance) P-C4' energy: -107.159 flat angles C4'-P-C4' energy: -109.254 flat angles P-C4'-P energy: -67.332 tors. eta vs tors. theta energy: -139.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1545.571684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.571684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.571684 (E_RNA) where: Base-Base interactions energy: -1051.078 where: short stacking energy: -448.338 Base-Backbone interact. energy: -6.365 local terms energy: -488.128506 where: bonds (distance) C4'-P energy: -92.805 bonds (distance) P-C4' energy: -91.014 flat angles C4'-P-C4' energy: -105.599 flat angles P-C4'-P energy: -66.212 tors. eta vs tors. theta energy: -132.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1430.240273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.240273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.240273 (E_RNA) where: Base-Base interactions energy: -974.577 where: short stacking energy: -424.357 Base-Backbone interact. energy: -1.678 local terms energy: -453.985533 where: bonds (distance) C4'-P energy: -89.067 bonds (distance) P-C4' energy: -88.160 flat angles C4'-P-C4' energy: -93.191 flat angles P-C4'-P energy: -63.691 tors. eta vs tors. theta energy: -119.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1359.133536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.133536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.133536 (E_RNA) where: Base-Base interactions energy: -918.432 where: short stacking energy: -401.751 Base-Backbone interact. energy: -2.747 local terms energy: -437.954572 where: bonds (distance) C4'-P energy: -83.802 bonds (distance) P-C4' energy: -71.829 flat angles C4'-P-C4' energy: -100.479 flat angles P-C4'-P energy: -62.162 tors. eta vs tors. theta energy: -119.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1100.129005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.129005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.129005 (E_RNA) where: Base-Base interactions energy: -714.092 where: short stacking energy: -345.459 Base-Backbone interact. energy: 0.146 local terms energy: -386.182575 where: bonds (distance) C4'-P energy: -79.445 bonds (distance) P-C4' energy: -86.621 flat angles C4'-P-C4' energy: -80.823 flat angles P-C4'-P energy: -51.346 tors. eta vs tors. theta energy: -87.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -872.005284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.005284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.005284 (E_RNA) where: Base-Base interactions energy: -559.437 where: short stacking energy: -269.579 Base-Backbone interact. energy: -0.369 local terms energy: -312.198811 where: bonds (distance) C4'-P energy: -68.055 bonds (distance) P-C4' energy: -90.712 flat angles C4'-P-C4' energy: -75.980 flat angles P-C4'-P energy: -39.526 tors. eta vs tors. theta energy: -37.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -659.040813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.040813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.040813 (E_RNA) where: Base-Base interactions energy: -374.822 where: short stacking energy: -212.224 Base-Backbone interact. energy: -3.172 local terms energy: -281.046466 where: bonds (distance) C4'-P energy: -67.137 bonds (distance) P-C4' energy: -78.750 flat angles C4'-P-C4' energy: -76.773 flat angles P-C4'-P energy: -33.239 tors. eta vs tors. theta energy: -25.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -592.632344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.632344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.632344 (E_RNA) where: Base-Base interactions energy: -307.653 where: short stacking energy: -183.298 Base-Backbone interact. energy: -0.929 local terms energy: -284.050674 where: bonds (distance) C4'-P energy: -78.885 bonds (distance) P-C4' energy: -92.910 flat angles C4'-P-C4' energy: -72.629 flat angles P-C4'-P energy: -32.834 tors. eta vs tors. theta energy: -6.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -384.816862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.816862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.816862 (E_RNA) where: Base-Base interactions energy: -146.261 where: short stacking energy: -129.227 Base-Backbone interact. energy: -1.131 local terms energy: -237.425237 where: bonds (distance) C4'-P energy: -58.305 bonds (distance) P-C4' energy: -87.054 flat angles C4'-P-C4' energy: -66.538 flat angles P-C4'-P energy: -25.008 tors. eta vs tors. theta energy: -0.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1679.558541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.558541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.558541 (E_RNA) where: Base-Base interactions energy: -1157.805 where: short stacking energy: -509.546 Base-Backbone interact. energy: -3.574 local terms energy: -518.179712 where: bonds (distance) C4'-P energy: -93.984 bonds (distance) P-C4' energy: -87.298 flat angles C4'-P-C4' energy: -96.706 flat angles P-C4'-P energy: -73.182 tors. eta vs tors. theta energy: -167.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1592.588397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.588397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.588397 (E_RNA) where: Base-Base interactions energy: -1084.294 where: short stacking energy: -502.442 Base-Backbone interact. energy: -4.714 local terms energy: -503.580952 where: bonds (distance) C4'-P energy: -86.275 bonds (distance) P-C4' energy: -90.930 flat angles C4'-P-C4' energy: -104.755 flat angles P-C4'-P energy: -73.396 tors. eta vs tors. theta energy: -148.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1537.663816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.663816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.663816 (E_RNA) where: Base-Base interactions energy: -1058.673 where: short stacking energy: -432.962 Base-Backbone interact. energy: -4.603 local terms energy: -474.387855 where: bonds (distance) C4'-P energy: -84.993 bonds (distance) P-C4' energy: -79.922 flat angles C4'-P-C4' energy: -108.601 flat angles P-C4'-P energy: -70.463 tors. eta vs tors. theta energy: -130.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1369.049966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.049966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.049966 (E_RNA) where: Base-Base interactions energy: -909.336 where: short stacking energy: -414.362 Base-Backbone interact. energy: -0.061 local terms energy: -459.653103 where: bonds (distance) C4'-P energy: -85.464 bonds (distance) P-C4' energy: -91.489 flat angles C4'-P-C4' energy: -101.878 flat angles P-C4'-P energy: -64.047 tors. eta vs tors. theta energy: -116.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1396.955964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.955964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.955964 (E_RNA) where: Base-Base interactions energy: -930.188 where: short stacking energy: -401.198 Base-Backbone interact. energy: -2.106 local terms energy: -464.662236 where: bonds (distance) C4'-P energy: -86.002 bonds (distance) P-C4' energy: -75.167 flat angles C4'-P-C4' energy: -106.942 flat angles P-C4'-P energy: -65.825 tors. eta vs tors. theta energy: -130.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1053.319582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.319582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.319582 (E_RNA) where: Base-Base interactions energy: -662.658 where: short stacking energy: -319.779 Base-Backbone interact. energy: -3.165 local terms energy: -387.496371 where: bonds (distance) C4'-P energy: -77.425 bonds (distance) P-C4' energy: -83.564 flat angles C4'-P-C4' energy: -88.193 flat angles P-C4'-P energy: -54.409 tors. eta vs tors. theta energy: -83.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -887.493741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.493741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.493741 (E_RNA) where: Base-Base interactions energy: -534.677 where: short stacking energy: -265.350 Base-Backbone interact. energy: -2.606 local terms energy: -350.210843 where: bonds (distance) C4'-P energy: -67.332 bonds (distance) P-C4' energy: -91.470 flat angles C4'-P-C4' energy: -95.038 flat angles P-C4'-P energy: -43.849 tors. eta vs tors. theta energy: -52.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -701.283783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.283783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.283783 (E_RNA) where: Base-Base interactions energy: -394.085 where: short stacking energy: -218.033 Base-Backbone interact. energy: 3.623 local terms energy: -310.822226 where: bonds (distance) C4'-P energy: -64.902 bonds (distance) P-C4' energy: -86.123 flat angles C4'-P-C4' energy: -78.849 flat angles P-C4'-P energy: -43.153 tors. eta vs tors. theta energy: -37.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -557.047522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.047522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.047522 (E_RNA) where: Base-Base interactions energy: -271.423 where: short stacking energy: -170.975 Base-Backbone interact. energy: -1.236 local terms energy: -284.388003 where: bonds (distance) C4'-P energy: -66.628 bonds (distance) P-C4' energy: -79.732 flat angles C4'-P-C4' energy: -67.793 flat angles P-C4'-P energy: -46.852 tors. eta vs tors. theta energy: -23.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -389.363521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.363521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.363521 (E_RNA) where: Base-Base interactions energy: -145.028 where: short stacking energy: -115.929 Base-Backbone interact. energy: -1.363 local terms energy: -242.972512 where: bonds (distance) C4'-P energy: -77.599 bonds (distance) P-C4' energy: -67.720 flat angles C4'-P-C4' energy: -65.511 flat angles P-C4'-P energy: -33.919 tors. eta vs tors. theta energy: 1.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1699.476062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.476062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.476062 (E_RNA) where: Base-Base interactions energy: -1155.431 where: short stacking energy: -517.056 Base-Backbone interact. energy: -2.824 local terms energy: -541.220966 where: bonds (distance) C4'-P energy: -95.209 bonds (distance) P-C4' energy: -100.218 flat angles C4'-P-C4' energy: -114.593 flat angles P-C4'-P energy: -74.322 tors. eta vs tors. theta energy: -156.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1557.364208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.364208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.364208 (E_RNA) where: Base-Base interactions energy: -1073.641 where: short stacking energy: -448.352 Base-Backbone interact. energy: -4.422 local terms energy: -479.300994 where: bonds (distance) C4'-P energy: -78.018 bonds (distance) P-C4' energy: -104.239 flat angles C4'-P-C4' energy: -102.001 flat angles P-C4'-P energy: -66.170 tors. eta vs tors. theta energy: -128.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1566.775838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.775838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.775838 (E_RNA) where: Base-Base interactions energy: -1083.771 where: short stacking energy: -468.720 Base-Backbone interact. energy: -1.962 local terms energy: -481.042845 where: bonds (distance) C4'-P energy: -79.733 bonds (distance) P-C4' energy: -93.658 flat angles C4'-P-C4' energy: -108.674 flat angles P-C4'-P energy: -69.248 tors. eta vs tors. theta energy: -129.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1386.888068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.888068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.888068 (E_RNA) where: Base-Base interactions energy: -917.116 where: short stacking energy: -440.681 Base-Backbone interact. energy: 2.970 local terms energy: -472.741791 where: bonds (distance) C4'-P energy: -94.759 bonds (distance) P-C4' energy: -94.462 flat angles C4'-P-C4' energy: -91.787 flat angles P-C4'-P energy: -57.425 tors. eta vs tors. theta energy: -134.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1398.303120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.303120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.303120 (E_RNA) where: Base-Base interactions energy: -956.671 where: short stacking energy: -400.427 Base-Backbone interact. energy: -1.935 local terms energy: -439.697627 where: bonds (distance) C4'-P energy: -80.026 bonds (distance) P-C4' energy: -90.886 flat angles C4'-P-C4' energy: -87.713 flat angles P-C4'-P energy: -65.828 tors. eta vs tors. theta energy: -115.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1030.821411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.821411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.821411 (E_RNA) where: Base-Base interactions energy: -632.356 where: short stacking energy: -313.842 Base-Backbone interact. energy: -0.498 local terms energy: -397.966811 where: bonds (distance) C4'-P energy: -85.723 bonds (distance) P-C4' energy: -90.379 flat angles C4'-P-C4' energy: -88.822 flat angles P-C4'-P energy: -60.564 tors. eta vs tors. theta energy: -72.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -847.721635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.721635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.721635 (E_RNA) where: Base-Base interactions energy: -517.487 where: short stacking energy: -256.047 Base-Backbone interact. energy: -1.438 local terms energy: -328.796099 where: bonds (distance) C4'-P energy: -71.081 bonds (distance) P-C4' energy: -87.533 flat angles C4'-P-C4' energy: -78.932 flat angles P-C4'-P energy: -49.948 tors. eta vs tors. theta energy: -41.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -762.537063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.537063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.537063 (E_RNA) where: Base-Base interactions energy: -444.429 where: short stacking energy: -214.313 Base-Backbone interact. energy: -0.267 local terms energy: -317.841260 where: bonds (distance) C4'-P energy: -66.571 bonds (distance) P-C4' energy: -88.902 flat angles C4'-P-C4' energy: -78.467 flat angles P-C4'-P energy: -52.724 tors. eta vs tors. theta energy: -31.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -584.022992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.022992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.022992 (E_RNA) where: Base-Base interactions energy: -297.626 where: short stacking energy: -169.972 Base-Backbone interact. energy: -1.954 local terms energy: -284.443723 where: bonds (distance) C4'-P energy: -65.147 bonds (distance) P-C4' energy: -82.478 flat angles C4'-P-C4' energy: -77.104 flat angles P-C4'-P energy: -53.087 tors. eta vs tors. theta energy: -6.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -401.185212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.185212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.185212 (E_RNA) where: Base-Base interactions energy: -142.470 where: short stacking energy: -110.393 Base-Backbone interact. energy: -0.212 local terms energy: -258.502622 where: bonds (distance) C4'-P energy: -93.543 bonds (distance) P-C4' energy: -85.824 flat angles C4'-P-C4' energy: -55.793 flat angles P-C4'-P energy: -35.828 tors. eta vs tors. theta energy: 12.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1691.129878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.129878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.129878 (E_RNA) where: Base-Base interactions energy: -1152.873 where: short stacking energy: -501.146 Base-Backbone interact. energy: -1.789 local terms energy: -536.467765 where: bonds (distance) C4'-P energy: -90.324 bonds (distance) P-C4' energy: -91.057 flat angles C4'-P-C4' energy: -108.720 flat angles P-C4'-P energy: -85.750 tors. eta vs tors. theta energy: -160.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1586.292275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.292275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.292275 (E_RNA) where: Base-Base interactions energy: -1112.091 where: short stacking energy: -472.853 Base-Backbone interact. energy: -3.765 local terms energy: -470.436982 where: bonds (distance) C4'-P energy: -89.809 bonds (distance) P-C4' energy: -81.845 flat angles C4'-P-C4' energy: -101.426 flat angles P-C4'-P energy: -67.562 tors. eta vs tors. theta energy: -129.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1538.201932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.201932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.201932 (E_RNA) where: Base-Base interactions energy: -1052.359 where: short stacking energy: -465.653 Base-Backbone interact. energy: -2.114 local terms energy: -483.728924 where: bonds (distance) C4'-P energy: -83.851 bonds (distance) P-C4' energy: -96.607 flat angles C4'-P-C4' energy: -105.094 flat angles P-C4'-P energy: -63.877 tors. eta vs tors. theta energy: -134.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1415.940379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.940379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.940379 (E_RNA) where: Base-Base interactions energy: -942.045 where: short stacking energy: -418.811 Base-Backbone interact. energy: -0.870 local terms energy: -473.025350 where: bonds (distance) C4'-P energy: -79.985 bonds (distance) P-C4' energy: -95.787 flat angles C4'-P-C4' energy: -105.974 flat angles P-C4'-P energy: -74.057 tors. eta vs tors. theta energy: -117.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1341.229559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.229559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.229559 (E_RNA) where: Base-Base interactions energy: -880.748 where: short stacking energy: -421.873 Base-Backbone interact. energy: -1.937 local terms energy: -458.544074 where: bonds (distance) C4'-P energy: -80.993 bonds (distance) P-C4' energy: -84.792 flat angles C4'-P-C4' energy: -105.121 flat angles P-C4'-P energy: -69.278 tors. eta vs tors. theta energy: -118.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -987.410143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.410143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.410143 (E_RNA) where: Base-Base interactions energy: -614.751 where: short stacking energy: -316.989 Base-Backbone interact. energy: -2.177 local terms energy: -370.482669 where: bonds (distance) C4'-P energy: -83.333 bonds (distance) P-C4' energy: -79.479 flat angles C4'-P-C4' energy: -78.314 flat angles P-C4'-P energy: -48.853 tors. eta vs tors. theta energy: -80.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -860.180890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.180890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.180890 (E_RNA) where: Base-Base interactions energy: -532.886 where: short stacking energy: -260.443 Base-Backbone interact. energy: -5.406 local terms energy: -321.888325 where: bonds (distance) C4'-P energy: -72.157 bonds (distance) P-C4' energy: -79.244 flat angles C4'-P-C4' energy: -72.517 flat angles P-C4'-P energy: -50.123 tors. eta vs tors. theta energy: -47.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -751.314726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.314726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.314726 (E_RNA) where: Base-Base interactions energy: -447.005 where: short stacking energy: -205.833 Base-Backbone interact. energy: -1.924 local terms energy: -302.385529 where: bonds (distance) C4'-P energy: -71.639 bonds (distance) P-C4' energy: -82.956 flat angles C4'-P-C4' energy: -75.689 flat angles P-C4'-P energy: -49.699 tors. eta vs tors. theta energy: -22.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -631.684403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.684403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.684403 (E_RNA) where: Base-Base interactions energy: -350.024 where: short stacking energy: -168.123 Base-Backbone interact. energy: 0.019 local terms energy: -281.679630 where: bonds (distance) C4'-P energy: -79.629 bonds (distance) P-C4' energy: -83.306 flat angles C4'-P-C4' energy: -74.532 flat angles P-C4'-P energy: -33.724 tors. eta vs tors. theta energy: -10.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -366.465998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.465998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.465998 (E_RNA) where: Base-Base interactions energy: -125.619 where: short stacking energy: -108.732 Base-Backbone interact. energy: -1.514 local terms energy: -239.332982 where: bonds (distance) C4'-P energy: -75.098 bonds (distance) P-C4' energy: -81.872 flat angles C4'-P-C4' energy: -77.556 flat angles P-C4'-P energy: -26.850 tors. eta vs tors. theta energy: 22.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1693.980924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.980924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.980924 (E_RNA) where: Base-Base interactions energy: -1167.634 where: short stacking energy: -516.666 Base-Backbone interact. energy: -2.459 local terms energy: -523.888589 where: bonds (distance) C4'-P energy: -92.574 bonds (distance) P-C4' energy: -88.224 flat angles C4'-P-C4' energy: -110.419 flat angles P-C4'-P energy: -68.021 tors. eta vs tors. theta energy: -164.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1602.006400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.006400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.006400 (E_RNA) where: Base-Base interactions energy: -1117.653 where: short stacking energy: -489.531 Base-Backbone interact. energy: -1.423 local terms energy: -482.930081 where: bonds (distance) C4'-P energy: -96.751 bonds (distance) P-C4' energy: -80.218 flat angles C4'-P-C4' energy: -97.937 flat angles P-C4'-P energy: -67.197 tors. eta vs tors. theta energy: -140.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1516.195941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.195941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.195941 (E_RNA) where: Base-Base interactions energy: -1028.385 where: short stacking energy: -436.868 Base-Backbone interact. energy: -3.457 local terms energy: -484.353969 where: bonds (distance) C4'-P energy: -95.718 bonds (distance) P-C4' energy: -98.441 flat angles C4'-P-C4' energy: -101.174 flat angles P-C4'-P energy: -60.314 tors. eta vs tors. theta energy: -128.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1454.414160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.414160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.414160 (E_RNA) where: Base-Base interactions energy: -988.926 where: short stacking energy: -434.307 Base-Backbone interact. energy: 0.838 local terms energy: -466.325827 where: bonds (distance) C4'-P energy: -72.470 bonds (distance) P-C4' energy: -87.491 flat angles C4'-P-C4' energy: -106.027 flat angles P-C4'-P energy: -70.367 tors. eta vs tors. theta energy: -129.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1322.197489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.197489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.197489 (E_RNA) where: Base-Base interactions energy: -875.103 where: short stacking energy: -398.281 Base-Backbone interact. energy: 2.778 local terms energy: -449.873186 where: bonds (distance) C4'-P energy: -91.444 bonds (distance) P-C4' energy: -90.648 flat angles C4'-P-C4' energy: -93.657 flat angles P-C4'-P energy: -67.255 tors. eta vs tors. theta energy: -106.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -962.344577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.344577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.344577 (E_RNA) where: Base-Base interactions energy: -612.179 where: short stacking energy: -307.985 Base-Backbone interact. energy: 0.377 local terms energy: -350.542113 where: bonds (distance) C4'-P energy: -73.390 bonds (distance) P-C4' energy: -70.687 flat angles C4'-P-C4' energy: -81.413 flat angles P-C4'-P energy: -58.365 tors. eta vs tors. theta energy: -66.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -849.202625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.202625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.202625 (E_RNA) where: Base-Base interactions energy: -515.835 where: short stacking energy: -255.733 Base-Backbone interact. energy: 0.769 local terms energy: -334.136349 where: bonds (distance) C4'-P energy: -70.046 bonds (distance) P-C4' energy: -85.426 flat angles C4'-P-C4' energy: -79.371 flat angles P-C4'-P energy: -50.371 tors. eta vs tors. theta energy: -48.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -736.048660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.048660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.048660 (E_RNA) where: Base-Base interactions energy: -451.451 where: short stacking energy: -195.645 Base-Backbone interact. energy: 2.271 local terms energy: -286.869237 where: bonds (distance) C4'-P energy: -80.933 bonds (distance) P-C4' energy: -71.109 flat angles C4'-P-C4' energy: -75.635 flat angles P-C4'-P energy: -48.323 tors. eta vs tors. theta energy: -10.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -621.993927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.993927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.993927 (E_RNA) where: Base-Base interactions energy: -338.489 where: short stacking energy: -181.969 Base-Backbone interact. energy: -0.518 local terms energy: -282.987176 where: bonds (distance) C4'-P energy: -78.894 bonds (distance) P-C4' energy: -83.614 flat angles C4'-P-C4' energy: -67.640 flat angles P-C4'-P energy: -29.124 tors. eta vs tors. theta energy: -23.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -389.129638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.129638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.129638 (E_RNA) where: Base-Base interactions energy: -148.140 where: short stacking energy: -112.232 Base-Backbone interact. energy: -2.574 local terms energy: -238.414820 where: bonds (distance) C4'-P energy: -78.738 bonds (distance) P-C4' energy: -88.247 flat angles C4'-P-C4' energy: -53.903 flat angles P-C4'-P energy: -35.624 tors. eta vs tors. theta energy: 18.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1695.698231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.698231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.698231 (E_RNA) where: Base-Base interactions energy: -1166.239 where: short stacking energy: -498.197 Base-Backbone interact. energy: 1.781 local terms energy: -531.240349 where: bonds (distance) C4'-P energy: -91.248 bonds (distance) P-C4' energy: -90.703 flat angles C4'-P-C4' energy: -109.953 flat angles P-C4'-P energy: -80.266 tors. eta vs tors. theta energy: -159.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1603.678815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.678815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.678815 (E_RNA) where: Base-Base interactions energy: -1123.347 where: short stacking energy: -493.990 Base-Backbone interact. energy: -1.694 local terms energy: -478.637752 where: bonds (distance) C4'-P energy: -103.908 bonds (distance) P-C4' energy: -73.386 flat angles C4'-P-C4' energy: -97.590 flat angles P-C4'-P energy: -64.009 tors. eta vs tors. theta energy: -139.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1533.666195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.666195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.666195 (E_RNA) where: Base-Base interactions energy: -1061.571 where: short stacking energy: -437.295 Base-Backbone interact. energy: -2.700 local terms energy: -469.394474 where: bonds (distance) C4'-P energy: -84.423 bonds (distance) P-C4' energy: -81.480 flat angles C4'-P-C4' energy: -101.237 flat angles P-C4'-P energy: -68.387 tors. eta vs tors. theta energy: -133.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1457.147373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.147373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.147373 (E_RNA) where: Base-Base interactions energy: -978.138 where: short stacking energy: -433.428 Base-Backbone interact. energy: -1.619 local terms energy: -477.390409 where: bonds (distance) C4'-P energy: -88.196 bonds (distance) P-C4' energy: -90.722 flat angles C4'-P-C4' energy: -104.564 flat angles P-C4'-P energy: -62.525 tors. eta vs tors. theta energy: -131.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1312.573779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.573779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.573779 (E_RNA) where: Base-Base interactions energy: -890.720 where: short stacking energy: -388.760 Base-Backbone interact. energy: -1.271 local terms energy: -420.582159 where: bonds (distance) C4'-P energy: -93.471 bonds (distance) P-C4' energy: -90.050 flat angles C4'-P-C4' energy: -84.506 flat angles P-C4'-P energy: -54.336 tors. eta vs tors. theta energy: -98.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -913.462607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.462607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.462607 (E_RNA) where: Base-Base interactions energy: -519.717 where: short stacking energy: -292.166 Base-Backbone interact. energy: -1.650 local terms energy: -392.095280 where: bonds (distance) C4'-P energy: -87.195 bonds (distance) P-C4' energy: -94.494 flat angles C4'-P-C4' energy: -93.470 flat angles P-C4'-P energy: -49.897 tors. eta vs tors. theta energy: -67.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -838.685487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.685487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.685487 (E_RNA) where: Base-Base interactions energy: -536.202 where: short stacking energy: -251.575 Base-Backbone interact. energy: 5.114 local terms energy: -307.597326 where: bonds (distance) C4'-P energy: -63.568 bonds (distance) P-C4' energy: -62.327 flat angles C4'-P-C4' energy: -86.648 flat angles P-C4'-P energy: -54.521 tors. eta vs tors. theta energy: -40.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -741.057775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.057775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.057775 (E_RNA) where: Base-Base interactions energy: -453.781 where: short stacking energy: -226.737 Base-Backbone interact. energy: 4.863 local terms energy: -292.139641 where: bonds (distance) C4'-P energy: -87.333 bonds (distance) P-C4' energy: -72.859 flat angles C4'-P-C4' energy: -66.505 flat angles P-C4'-P energy: -42.843 tors. eta vs tors. theta energy: -22.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -622.045730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.045730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.045730 (E_RNA) where: Base-Base interactions energy: -324.309 where: short stacking energy: -174.534 Base-Backbone interact. energy: 2.294 local terms energy: -300.030624 where: bonds (distance) C4'-P energy: -71.278 bonds (distance) P-C4' energy: -84.546 flat angles C4'-P-C4' energy: -79.767 flat angles P-C4'-P energy: -39.366 tors. eta vs tors. theta energy: -25.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -376.124531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.124531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.124531 (E_RNA) where: Base-Base interactions energy: -125.631 where: short stacking energy: -106.463 Base-Backbone interact. energy: 2.084 local terms energy: -252.577847 where: bonds (distance) C4'-P energy: -66.172 bonds (distance) P-C4' energy: -83.581 flat angles C4'-P-C4' energy: -71.828 flat angles P-C4'-P energy: -41.865 tors. eta vs tors. theta energy: 10.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1679.093169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.093169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.093169 (E_RNA) where: Base-Base interactions energy: -1139.713 where: short stacking energy: -521.234 Base-Backbone interact. energy: -1.134 local terms energy: -538.245970 where: bonds (distance) C4'-P energy: -89.253 bonds (distance) P-C4' energy: -88.291 flat angles C4'-P-C4' energy: -116.752 flat angles P-C4'-P energy: -78.999 tors. eta vs tors. theta energy: -164.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1583.782670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.782670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.782670 (E_RNA) where: Base-Base interactions energy: -1108.329 where: short stacking energy: -478.338 Base-Backbone interact. energy: -2.862 local terms energy: -472.591907 where: bonds (distance) C4'-P energy: -81.063 bonds (distance) P-C4' energy: -80.000 flat angles C4'-P-C4' energy: -107.914 flat angles P-C4'-P energy: -66.240 tors. eta vs tors. theta energy: -137.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1505.610718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.610718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.610718 (E_RNA) where: Base-Base interactions energy: -1021.549 where: short stacking energy: -444.796 Base-Backbone interact. energy: -2.811 local terms energy: -481.250958 where: bonds (distance) C4'-P energy: -92.083 bonds (distance) P-C4' energy: -89.739 flat angles C4'-P-C4' energy: -102.070 flat angles P-C4'-P energy: -65.715 tors. eta vs tors. theta energy: -131.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1478.875849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.875849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.875849 (E_RNA) where: Base-Base interactions energy: -1015.917 where: short stacking energy: -434.447 Base-Backbone interact. energy: -3.611 local terms energy: -459.348023 where: bonds (distance) C4'-P energy: -90.700 bonds (distance) P-C4' energy: -81.757 flat angles C4'-P-C4' energy: -103.794 flat angles P-C4'-P energy: -61.840 tors. eta vs tors. theta energy: -121.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1341.545219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.545219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.545219 (E_RNA) where: Base-Base interactions energy: -903.951 where: short stacking energy: -418.941 Base-Backbone interact. energy: 3.381 local terms energy: -440.975877 where: bonds (distance) C4'-P energy: -83.927 bonds (distance) P-C4' energy: -75.670 flat angles C4'-P-C4' energy: -96.979 flat angles P-C4'-P energy: -64.244 tors. eta vs tors. theta energy: -120.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -871.973413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.973413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.973413 (E_RNA) where: Base-Base interactions energy: -519.422 where: short stacking energy: -271.594 Base-Backbone interact. energy: -1.634 local terms energy: -350.916808 where: bonds (distance) C4'-P energy: -88.974 bonds (distance) P-C4' energy: -89.096 flat angles C4'-P-C4' energy: -74.881 flat angles P-C4'-P energy: -53.339 tors. eta vs tors. theta energy: -44.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -814.456752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.456752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.456752 (E_RNA) where: Base-Base interactions energy: -480.398 where: short stacking energy: -242.907 Base-Backbone interact. energy: -0.299 local terms energy: -333.759422 where: bonds (distance) C4'-P energy: -81.344 bonds (distance) P-C4' energy: -94.020 flat angles C4'-P-C4' energy: -85.594 flat angles P-C4'-P energy: -42.336 tors. eta vs tors. theta energy: -30.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -753.159986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.159986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.159986 (E_RNA) where: Base-Base interactions energy: -428.487 where: short stacking energy: -215.366 Base-Backbone interact. energy: 2.059 local terms energy: -326.731553 where: bonds (distance) C4'-P energy: -72.217 bonds (distance) P-C4' energy: -88.300 flat angles C4'-P-C4' energy: -78.568 flat angles P-C4'-P energy: -45.279 tors. eta vs tors. theta energy: -42.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -620.254686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.254686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.254686 (E_RNA) where: Base-Base interactions energy: -332.920 where: short stacking energy: -175.399 Base-Backbone interact. energy: -2.127 local terms energy: -285.208002 where: bonds (distance) C4'-P energy: -79.336 bonds (distance) P-C4' energy: -81.281 flat angles C4'-P-C4' energy: -77.736 flat angles P-C4'-P energy: -36.469 tors. eta vs tors. theta energy: -10.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -390.243428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.243428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.243428 (E_RNA) where: Base-Base interactions energy: -149.722 where: short stacking energy: -96.282 Base-Backbone interact. energy: 1.526 local terms energy: -242.047244 where: bonds (distance) C4'-P energy: -85.424 bonds (distance) P-C4' energy: -93.876 flat angles C4'-P-C4' energy: -62.972 flat angles P-C4'-P energy: -22.861 tors. eta vs tors. theta energy: 23.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1693.882647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.882647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.882647 (E_RNA) where: Base-Base interactions energy: -1158.523 where: short stacking energy: -524.258 Base-Backbone interact. energy: -0.567 local terms energy: -534.793017 where: bonds (distance) C4'-P energy: -91.137 bonds (distance) P-C4' energy: -96.271 flat angles C4'-P-C4' energy: -109.375 flat angles P-C4'-P energy: -71.857 tors. eta vs tors. theta energy: -166.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1572.961687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.961687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.961687 (E_RNA) where: Base-Base interactions energy: -1068.010 where: short stacking energy: -463.172 Base-Backbone interact. energy: 3.568 local terms energy: -508.520135 where: bonds (distance) C4'-P energy: -84.425 bonds (distance) P-C4' energy: -96.049 flat angles C4'-P-C4' energy: -114.130 flat angles P-C4'-P energy: -78.731 tors. eta vs tors. theta energy: -135.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1508.124034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.124034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.124034 (E_RNA) where: Base-Base interactions energy: -1021.346 where: short stacking energy: -432.357 Base-Backbone interact. energy: -3.757 local terms energy: -483.021047 where: bonds (distance) C4'-P energy: -86.104 bonds (distance) P-C4' energy: -97.310 flat angles C4'-P-C4' energy: -99.732 flat angles P-C4'-P energy: -69.379 tors. eta vs tors. theta energy: -130.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1445.778626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.778626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.778626 (E_RNA) where: Base-Base interactions energy: -994.012 where: short stacking energy: -417.852 Base-Backbone interact. energy: -1.605 local terms energy: -450.161582 where: bonds (distance) C4'-P energy: -81.835 bonds (distance) P-C4' energy: -86.075 flat angles C4'-P-C4' energy: -92.771 flat angles P-C4'-P energy: -64.245 tors. eta vs tors. theta energy: -125.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1380.422650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.422650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.422650 (E_RNA) where: Base-Base interactions energy: -924.481 where: short stacking energy: -411.209 Base-Backbone interact. energy: -0.672 local terms energy: -455.269911 where: bonds (distance) C4'-P energy: -82.773 bonds (distance) P-C4' energy: -90.523 flat angles C4'-P-C4' energy: -93.504 flat angles P-C4'-P energy: -61.388 tors. eta vs tors. theta energy: -127.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -901.243484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.243484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.243484 (E_RNA) where: Base-Base interactions energy: -540.953 where: short stacking energy: -293.526 Base-Backbone interact. energy: 2.110 local terms energy: -362.400549 where: bonds (distance) C4'-P energy: -83.231 bonds (distance) P-C4' energy: -87.350 flat angles C4'-P-C4' energy: -85.513 flat angles P-C4'-P energy: -57.373 tors. eta vs tors. theta energy: -48.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -787.025603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.025603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.025603 (E_RNA) where: Base-Base interactions energy: -473.471 where: short stacking energy: -239.371 Base-Backbone interact. energy: -3.466 local terms energy: -310.088439 where: bonds (distance) C4'-P energy: -84.127 bonds (distance) P-C4' energy: -81.747 flat angles C4'-P-C4' energy: -68.225 flat angles P-C4'-P energy: -42.931 tors. eta vs tors. theta energy: -33.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -709.042476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.042476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.042476 (E_RNA) where: Base-Base interactions energy: -387.562 where: short stacking energy: -203.134 Base-Backbone interact. energy: -1.313 local terms energy: -320.167784 where: bonds (distance) C4'-P energy: -69.506 bonds (distance) P-C4' energy: -90.912 flat angles C4'-P-C4' energy: -75.520 flat angles P-C4'-P energy: -45.931 tors. eta vs tors. theta energy: -38.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -753.980969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.980969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.980969 (E_RNA) where: Base-Base interactions energy: -437.093 where: short stacking energy: -216.360 Base-Backbone interact. energy: 2.762 local terms energy: -319.650101 where: bonds (distance) C4'-P energy: -74.232 bonds (distance) P-C4' energy: -85.360 flat angles C4'-P-C4' energy: -75.724 flat angles P-C4'-P energy: -44.897 tors. eta vs tors. theta energy: -39.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -397.371978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.371978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.371978 (E_RNA) where: Base-Base interactions energy: -136.497 where: short stacking energy: -124.372 Base-Backbone interact. energy: -2.451 local terms energy: -258.423774 where: bonds (distance) C4'-P energy: -66.032 bonds (distance) P-C4' energy: -80.935 flat angles C4'-P-C4' energy: -69.937 flat angles P-C4'-P energy: -48.926 tors. eta vs tors. theta energy: 7.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1670.624697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.624697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.624697 (E_RNA) where: Base-Base interactions energy: -1126.316 where: short stacking energy: -512.700 Base-Backbone interact. energy: -2.245 local terms energy: -542.063877 where: bonds (distance) C4'-P energy: -96.829 bonds (distance) P-C4' energy: -88.308 flat angles C4'-P-C4' energy: -111.035 flat angles P-C4'-P energy: -73.322 tors. eta vs tors. theta energy: -172.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1570.823735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.823735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.823735 (E_RNA) where: Base-Base interactions energy: -1080.998 where: short stacking energy: -474.186 Base-Backbone interact. energy: -1.876 local terms energy: -487.950095 where: bonds (distance) C4'-P energy: -95.417 bonds (distance) P-C4' energy: -72.851 flat angles C4'-P-C4' energy: -105.081 flat angles P-C4'-P energy: -85.275 tors. eta vs tors. theta energy: -129.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1513.564791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.564791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.564791 (E_RNA) where: Base-Base interactions energy: -1020.179 where: short stacking energy: -462.201 Base-Backbone interact. energy: -4.638 local terms energy: -488.747777 where: bonds (distance) C4'-P energy: -83.350 bonds (distance) P-C4' energy: -94.846 flat angles C4'-P-C4' energy: -115.000 flat angles P-C4'-P energy: -63.615 tors. eta vs tors. theta energy: -131.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1468.703388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.703388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.703388 (E_RNA) where: Base-Base interactions energy: -1010.770 where: short stacking energy: -454.491 Base-Backbone interact. energy: -2.505 local terms energy: -455.427824 where: bonds (distance) C4'-P energy: -80.336 bonds (distance) P-C4' energy: -88.778 flat angles C4'-P-C4' energy: -110.845 flat angles P-C4'-P energy: -46.381 tors. eta vs tors. theta energy: -129.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1336.726371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.726371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.726371 (E_RNA) where: Base-Base interactions energy: -890.189 where: short stacking energy: -405.251 Base-Backbone interact. energy: 1.030 local terms energy: -447.567174 where: bonds (distance) C4'-P energy: -80.542 bonds (distance) P-C4' energy: -72.751 flat angles C4'-P-C4' energy: -103.034 flat angles P-C4'-P energy: -73.857 tors. eta vs tors. theta energy: -117.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -905.260135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.260135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.260135 (E_RNA) where: Base-Base interactions energy: -532.222 where: short stacking energy: -269.100 Base-Backbone interact. energy: -2.551 local terms energy: -370.487530 where: bonds (distance) C4'-P energy: -74.606 bonds (distance) P-C4' energy: -91.644 flat angles C4'-P-C4' energy: -89.537 flat angles P-C4'-P energy: -56.752 tors. eta vs tors. theta energy: -57.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -766.818815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.818815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.818815 (E_RNA) where: Base-Base interactions energy: -428.429 where: short stacking energy: -217.824 Base-Backbone interact. energy: -1.586 local terms energy: -336.803939 where: bonds (distance) C4'-P energy: -78.451 bonds (distance) P-C4' energy: -82.949 flat angles C4'-P-C4' energy: -91.074 flat angles P-C4'-P energy: -56.431 tors. eta vs tors. theta energy: -27.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -724.957840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.957840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.957840 (E_RNA) where: Base-Base interactions energy: -423.412 where: short stacking energy: -207.791 Base-Backbone interact. energy: 2.188 local terms energy: -303.733361 where: bonds (distance) C4'-P energy: -90.924 bonds (distance) P-C4' energy: -76.575 flat angles C4'-P-C4' energy: -70.672 flat angles P-C4'-P energy: -45.539 tors. eta vs tors. theta energy: -20.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -714.837847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.837847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.837847 (E_RNA) where: Base-Base interactions energy: -419.264 where: short stacking energy: -216.506 Base-Backbone interact. energy: -0.355 local terms energy: -295.218852 where: bonds (distance) C4'-P energy: -74.359 bonds (distance) P-C4' energy: -78.273 flat angles C4'-P-C4' energy: -74.789 flat angles P-C4'-P energy: -26.247 tors. eta vs tors. theta energy: -41.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -385.219288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.219288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.219288 (E_RNA) where: Base-Base interactions energy: -155.898 where: short stacking energy: -117.829 Base-Backbone interact. energy: -2.803 local terms energy: -226.518242 where: bonds (distance) C4'-P energy: -60.607 bonds (distance) P-C4' energy: -73.865 flat angles C4'-P-C4' energy: -62.262 flat angles P-C4'-P energy: -52.203 tors. eta vs tors. theta energy: 22.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1702.570540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.570540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.570540 (E_RNA) where: Base-Base interactions energy: -1162.195 where: short stacking energy: -509.255 Base-Backbone interact. energy: -1.243 local terms energy: -539.132992 where: bonds (distance) C4'-P energy: -96.410 bonds (distance) P-C4' energy: -96.689 flat angles C4'-P-C4' energy: -106.945 flat angles P-C4'-P energy: -83.651 tors. eta vs tors. theta energy: -155.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1578.791942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.791942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.791942 (E_RNA) where: Base-Base interactions energy: -1069.299 where: short stacking energy: -473.117 Base-Backbone interact. energy: -3.236 local terms energy: -506.256051 where: bonds (distance) C4'-P energy: -91.110 bonds (distance) P-C4' energy: -102.554 flat angles C4'-P-C4' energy: -113.413 flat angles P-C4'-P energy: -67.335 tors. eta vs tors. theta energy: -131.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1524.803081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.803081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.803081 (E_RNA) where: Base-Base interactions energy: -1055.964 where: short stacking energy: -458.268 Base-Backbone interact. energy: -3.962 local terms energy: -464.876745 where: bonds (distance) C4'-P energy: -95.753 bonds (distance) P-C4' energy: -86.087 flat angles C4'-P-C4' energy: -105.385 flat angles P-C4'-P energy: -37.513 tors. eta vs tors. theta energy: -140.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1460.323585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.323585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.323585 (E_RNA) where: Base-Base interactions energy: -1009.713 where: short stacking energy: -450.762 Base-Backbone interact. energy: -2.201 local terms energy: -448.410001 where: bonds (distance) C4'-P energy: -77.651 bonds (distance) P-C4' energy: -88.602 flat angles C4'-P-C4' energy: -90.487 flat angles P-C4'-P energy: -66.215 tors. eta vs tors. theta energy: -125.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1278.394702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.394702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.394702 (E_RNA) where: Base-Base interactions energy: -860.600 where: short stacking energy: -392.662 Base-Backbone interact. energy: -1.343 local terms energy: -416.451859 where: bonds (distance) C4'-P energy: -80.584 bonds (distance) P-C4' energy: -84.713 flat angles C4'-P-C4' energy: -83.847 flat angles P-C4'-P energy: -58.478 tors. eta vs tors. theta energy: -108.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -927.347373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.347373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.347373 (E_RNA) where: Base-Base interactions energy: -558.047 where: short stacking energy: -287.539 Base-Backbone interact. energy: -1.719 local terms energy: -367.582064 where: bonds (distance) C4'-P energy: -85.153 bonds (distance) P-C4' energy: -79.239 flat angles C4'-P-C4' energy: -86.703 flat angles P-C4'-P energy: -46.239 tors. eta vs tors. theta energy: -70.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -838.212238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.212238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.212238 (E_RNA) where: Base-Base interactions energy: -523.098 where: short stacking energy: -255.004 Base-Backbone interact. energy: -0.014 local terms energy: -315.100447 where: bonds (distance) C4'-P energy: -67.635 bonds (distance) P-C4' energy: -81.340 flat angles C4'-P-C4' energy: -80.560 flat angles P-C4'-P energy: -45.722 tors. eta vs tors. theta energy: -39.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -755.094258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.094258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.094258 (E_RNA) where: Base-Base interactions energy: -428.173 where: short stacking energy: -244.166 Base-Backbone interact. energy: -4.001 local terms energy: -322.920628 where: bonds (distance) C4'-P energy: -86.364 bonds (distance) P-C4' energy: -80.417 flat angles C4'-P-C4' energy: -80.518 flat angles P-C4'-P energy: -36.173 tors. eta vs tors. theta energy: -39.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -686.760281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.760281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.760281 (E_RNA) where: Base-Base interactions energy: -372.715 where: short stacking energy: -195.643 Base-Backbone interact. energy: -2.118 local terms energy: -311.927709 where: bonds (distance) C4'-P energy: -69.420 bonds (distance) P-C4' energy: -89.833 flat angles C4'-P-C4' energy: -88.176 flat angles P-C4'-P energy: -44.261 tors. eta vs tors. theta energy: -20.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -376.407903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.407903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.407903 (E_RNA) where: Base-Base interactions energy: -137.679 where: short stacking energy: -110.260 Base-Backbone interact. energy: -0.821 local terms energy: -237.908344 where: bonds (distance) C4'-P energy: -64.054 bonds (distance) P-C4' energy: -89.145 flat angles C4'-P-C4' energy: -67.122 flat angles P-C4'-P energy: -29.987 tors. eta vs tors. theta energy: 12.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1707.613489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.613489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.613489 (E_RNA) where: Base-Base interactions energy: -1172.082 where: short stacking energy: -532.995 Base-Backbone interact. energy: -1.309 local terms energy: -534.222388 where: bonds (distance) C4'-P energy: -94.362 bonds (distance) P-C4' energy: -94.870 flat angles C4'-P-C4' energy: -112.013 flat angles P-C4'-P energy: -69.088 tors. eta vs tors. theta energy: -163.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1601.110170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.110170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.110170 (E_RNA) where: Base-Base interactions energy: -1097.979 where: short stacking energy: -502.006 Base-Backbone interact. energy: -2.410 local terms energy: -500.720481 where: bonds (distance) C4'-P energy: -84.390 bonds (distance) P-C4' energy: -93.311 flat angles C4'-P-C4' energy: -112.401 flat angles P-C4'-P energy: -74.628 tors. eta vs tors. theta energy: -135.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1506.935443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.935443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.935443 (E_RNA) where: Base-Base interactions energy: -1025.288 where: short stacking energy: -447.156 Base-Backbone interact. energy: -2.007 local terms energy: -479.640507 where: bonds (distance) C4'-P energy: -87.748 bonds (distance) P-C4' energy: -89.389 flat angles C4'-P-C4' energy: -113.513 flat angles P-C4'-P energy: -62.511 tors. eta vs tors. theta energy: -126.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1451.406993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.406993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.406993 (E_RNA) where: Base-Base interactions energy: -998.602 where: short stacking energy: -443.253 Base-Backbone interact. energy: 0.153 local terms energy: -452.958112 where: bonds (distance) C4'-P energy: -83.257 bonds (distance) P-C4' energy: -88.904 flat angles C4'-P-C4' energy: -94.414 flat angles P-C4'-P energy: -59.334 tors. eta vs tors. theta energy: -127.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1301.673171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.673171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.673171 (E_RNA) where: Base-Base interactions energy: -866.576 where: short stacking energy: -411.744 Base-Backbone interact. energy: 2.992 local terms energy: -438.089737 where: bonds (distance) C4'-P energy: -88.485 bonds (distance) P-C4' energy: -104.342 flat angles C4'-P-C4' energy: -85.993 flat angles P-C4'-P energy: -57.075 tors. eta vs tors. theta energy: -102.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -924.965571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.965571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.965571 (E_RNA) where: Base-Base interactions energy: -540.406 where: short stacking energy: -272.559 Base-Backbone interact. energy: -1.322 local terms energy: -383.237118 where: bonds (distance) C4'-P energy: -67.791 bonds (distance) P-C4' energy: -101.540 flat angles C4'-P-C4' energy: -85.772 flat angles P-C4'-P energy: -58.918 tors. eta vs tors. theta energy: -69.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -820.943019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.943019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.943019 (E_RNA) where: Base-Base interactions energy: -509.656 where: short stacking energy: -237.558 Base-Backbone interact. energy: 1.674 local terms energy: -312.960715 where: bonds (distance) C4'-P energy: -76.077 bonds (distance) P-C4' energy: -99.809 flat angles C4'-P-C4' energy: -56.145 flat angles P-C4'-P energy: -44.599 tors. eta vs tors. theta energy: -36.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -799.522810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.522810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.522810 (E_RNA) where: Base-Base interactions energy: -442.880 where: short stacking energy: -252.723 Base-Backbone interact. energy: -1.354 local terms energy: -355.287937 where: bonds (distance) C4'-P energy: -80.677 bonds (distance) P-C4' energy: -71.517 flat angles C4'-P-C4' energy: -90.211 flat angles P-C4'-P energy: -51.553 tors. eta vs tors. theta energy: -61.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -630.833322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.833322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.833322 (E_RNA) where: Base-Base interactions energy: -332.820 where: short stacking energy: -181.756 Base-Backbone interact. energy: 2.509 local terms energy: -300.521850 where: bonds (distance) C4'-P energy: -81.451 bonds (distance) P-C4' energy: -75.359 flat angles C4'-P-C4' energy: -89.279 flat angles P-C4'-P energy: -37.989 tors. eta vs tors. theta energy: -16.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -409.714704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.714704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.714704 (E_RNA) where: Base-Base interactions energy: -166.114 where: short stacking energy: -124.693 Base-Backbone interact. energy: 0.299 local terms energy: -243.899723 where: bonds (distance) C4'-P energy: -80.623 bonds (distance) P-C4' energy: -70.249 flat angles C4'-P-C4' energy: -65.422 flat angles P-C4'-P energy: -38.111 tors. eta vs tors. theta energy: 10.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1707.321458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.321458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.321458 (E_RNA) where: Base-Base interactions energy: -1174.052 where: short stacking energy: -510.251 Base-Backbone interact. energy: -1.271 local terms energy: -531.998818 where: bonds (distance) C4'-P energy: -93.310 bonds (distance) P-C4' energy: -93.832 flat angles C4'-P-C4' energy: -113.326 flat angles P-C4'-P energy: -77.635 tors. eta vs tors. theta energy: -153.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1580.379588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.379588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.379588 (E_RNA) where: Base-Base interactions energy: -1094.655 where: short stacking energy: -476.675 Base-Backbone interact. energy: -1.643 local terms energy: -484.080984 where: bonds (distance) C4'-P energy: -100.238 bonds (distance) P-C4' energy: -86.131 flat angles C4'-P-C4' energy: -103.347 flat angles P-C4'-P energy: -65.877 tors. eta vs tors. theta energy: -128.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1486.949029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.949029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.949029 (E_RNA) where: Base-Base interactions energy: -1008.424 where: short stacking energy: -447.163 Base-Backbone interact. energy: -4.383 local terms energy: -474.141541 where: bonds (distance) C4'-P energy: -82.955 bonds (distance) P-C4' energy: -95.922 flat angles C4'-P-C4' energy: -102.111 flat angles P-C4'-P energy: -62.005 tors. eta vs tors. theta energy: -131.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1433.297562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.297562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.297562 (E_RNA) where: Base-Base interactions energy: -957.035 where: short stacking energy: -432.080 Base-Backbone interact. energy: -2.107 local terms energy: -474.155384 where: bonds (distance) C4'-P energy: -88.267 bonds (distance) P-C4' energy: -76.879 flat angles C4'-P-C4' energy: -99.368 flat angles P-C4'-P energy: -76.852 tors. eta vs tors. theta energy: -132.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1285.766446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.766446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.766446 (E_RNA) where: Base-Base interactions energy: -853.561 where: short stacking energy: -395.357 Base-Backbone interact. energy: 0.501 local terms energy: -432.705816 where: bonds (distance) C4'-P energy: -75.417 bonds (distance) P-C4' energy: -87.104 flat angles C4'-P-C4' energy: -97.321 flat angles P-C4'-P energy: -63.467 tors. eta vs tors. theta energy: -109.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -933.274836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.274836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.274836 (E_RNA) where: Base-Base interactions energy: -569.823 where: short stacking energy: -278.159 Base-Backbone interact. energy: -1.099 local terms energy: -362.352519 where: bonds (distance) C4'-P energy: -89.015 bonds (distance) P-C4' energy: -85.015 flat angles C4'-P-C4' energy: -78.873 flat angles P-C4'-P energy: -53.027 tors. eta vs tors. theta energy: -56.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -830.100520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.100520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.100520 (E_RNA) where: Base-Base interactions energy: -526.506 where: short stacking energy: -258.317 Base-Backbone interact. energy: -1.232 local terms energy: -302.362603 where: bonds (distance) C4'-P energy: -56.762 bonds (distance) P-C4' energy: -87.429 flat angles C4'-P-C4' energy: -77.559 flat angles P-C4'-P energy: -34.653 tors. eta vs tors. theta energy: -45.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -733.403439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.403439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.403439 (E_RNA) where: Base-Base interactions energy: -398.044 where: short stacking energy: -215.403 Base-Backbone interact. energy: 2.687 local terms energy: -338.047322 where: bonds (distance) C4'-P energy: -85.440 bonds (distance) P-C4' energy: -83.662 flat angles C4'-P-C4' energy: -73.392 flat angles P-C4'-P energy: -48.803 tors. eta vs tors. theta energy: -46.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -596.526767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.526767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.526767 (E_RNA) where: Base-Base interactions energy: -335.405 where: short stacking energy: -181.570 Base-Backbone interact. energy: -1.575 local terms energy: -259.546899 where: bonds (distance) C4'-P energy: -59.639 bonds (distance) P-C4' energy: -89.042 flat angles C4'-P-C4' energy: -62.687 flat angles P-C4'-P energy: -42.037 tors. eta vs tors. theta energy: -6.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -373.997223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.997223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.997223 (E_RNA) where: Base-Base interactions energy: -133.044 where: short stacking energy: -117.456 Base-Backbone interact. energy: -2.473 local terms energy: -238.480365 where: bonds (distance) C4'-P energy: -71.819 bonds (distance) P-C4' energy: -94.458 flat angles C4'-P-C4' energy: -57.616 flat angles P-C4'-P energy: -34.707 tors. eta vs tors. theta energy: 20.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1689.807325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.807325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.807325 (E_RNA) where: Base-Base interactions energy: -1149.389 where: short stacking energy: -517.727 Base-Backbone interact. energy: -0.095 local terms energy: -540.323393 where: bonds (distance) C4'-P energy: -85.223 bonds (distance) P-C4' energy: -103.970 flat angles C4'-P-C4' energy: -113.790 flat angles P-C4'-P energy: -73.897 tors. eta vs tors. theta energy: -163.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1566.604966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.604966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.604966 (E_RNA) where: Base-Base interactions energy: -1090.421 where: short stacking energy: -463.890 Base-Backbone interact. energy: -2.642 local terms energy: -473.542352 where: bonds (distance) C4'-P energy: -83.721 bonds (distance) P-C4' energy: -88.272 flat angles C4'-P-C4' energy: -98.691 flat angles P-C4'-P energy: -73.864 tors. eta vs tors. theta energy: -128.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1504.799256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.799256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.799256 (E_RNA) where: Base-Base interactions energy: -1028.112 where: short stacking energy: -441.564 Base-Backbone interact. energy: -2.055 local terms energy: -474.632250 where: bonds (distance) C4'-P energy: -81.794 bonds (distance) P-C4' energy: -92.449 flat angles C4'-P-C4' energy: -107.956 flat angles P-C4'-P energy: -62.423 tors. eta vs tors. theta energy: -130.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1455.442800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.442800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.442800 (E_RNA) where: Base-Base interactions energy: -1008.603 where: short stacking energy: -432.054 Base-Backbone interact. energy: -0.023 local terms energy: -446.816728 where: bonds (distance) C4'-P energy: -86.761 bonds (distance) P-C4' energy: -72.236 flat angles C4'-P-C4' energy: -96.347 flat angles P-C4'-P energy: -58.045 tors. eta vs tors. theta energy: -133.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1293.988357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.988357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.988357 (E_RNA) where: Base-Base interactions energy: -864.314 where: short stacking energy: -388.674 Base-Backbone interact. energy: -1.394 local terms energy: -428.280062 where: bonds (distance) C4'-P energy: -90.101 bonds (distance) P-C4' energy: -84.999 flat angles C4'-P-C4' energy: -101.024 flat angles P-C4'-P energy: -47.495 tors. eta vs tors. theta energy: -104.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -959.645876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.645876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.645876 (E_RNA) where: Base-Base interactions energy: -569.729 where: short stacking energy: -296.502 Base-Backbone interact. energy: -1.792 local terms energy: -388.125267 where: bonds (distance) C4'-P energy: -91.101 bonds (distance) P-C4' energy: -96.243 flat angles C4'-P-C4' energy: -92.314 flat angles P-C4'-P energy: -61.385 tors. eta vs tors. theta energy: -47.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -869.034316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.034316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.034316 (E_RNA) where: Base-Base interactions energy: -520.354 where: short stacking energy: -246.815 Base-Backbone interact. energy: -0.880 local terms energy: -347.800939 where: bonds (distance) C4'-P energy: -81.020 bonds (distance) P-C4' energy: -84.889 flat angles C4'-P-C4' energy: -86.498 flat angles P-C4'-P energy: -56.680 tors. eta vs tors. theta energy: -38.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -745.667243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.667243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.667243 (E_RNA) where: Base-Base interactions energy: -426.337 where: short stacking energy: -236.678 Base-Backbone interact. energy: -0.033 local terms energy: -319.297048 where: bonds (distance) C4'-P energy: -78.982 bonds (distance) P-C4' energy: -82.951 flat angles C4'-P-C4' energy: -79.839 flat angles P-C4'-P energy: -38.505 tors. eta vs tors. theta energy: -39.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -567.089494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.089494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.089494 (E_RNA) where: Base-Base interactions energy: -300.615 where: short stacking energy: -148.342 Base-Backbone interact. energy: -3.035 local terms energy: -263.440262 where: bonds (distance) C4'-P energy: -64.210 bonds (distance) P-C4' energy: -72.721 flat angles C4'-P-C4' energy: -73.635 flat angles P-C4'-P energy: -47.124 tors. eta vs tors. theta energy: -5.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -383.917206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.917206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.917206 (E_RNA) where: Base-Base interactions energy: -118.994 where: short stacking energy: -96.517 Base-Backbone interact. energy: 1.882 local terms energy: -266.805005 where: bonds (distance) C4'-P energy: -81.479 bonds (distance) P-C4' energy: -84.735 flat angles C4'-P-C4' energy: -71.189 flat angles P-C4'-P energy: -37.475 tors. eta vs tors. theta energy: 8.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1688.788634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.788634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.788634 (E_RNA) where: Base-Base interactions energy: -1154.044 where: short stacking energy: -519.232 Base-Backbone interact. energy: -1.652 local terms energy: -533.091836 where: bonds (distance) C4'-P energy: -76.348 bonds (distance) P-C4' energy: -100.079 flat angles C4'-P-C4' energy: -109.208 flat angles P-C4'-P energy: -84.503 tors. eta vs tors. theta energy: -162.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1583.395304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.395304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.395304 (E_RNA) where: Base-Base interactions energy: -1075.464 where: short stacking energy: -475.265 Base-Backbone interact. energy: -4.243 local terms energy: -503.688702 where: bonds (distance) C4'-P energy: -87.662 bonds (distance) P-C4' energy: -94.834 flat angles C4'-P-C4' energy: -106.920 flat angles P-C4'-P energy: -74.601 tors. eta vs tors. theta energy: -139.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1523.494090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.494090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.494090 (E_RNA) where: Base-Base interactions energy: -1030.440 where: short stacking energy: -478.096 Base-Backbone interact. energy: -0.995 local terms energy: -492.059387 where: bonds (distance) C4'-P energy: -83.202 bonds (distance) P-C4' energy: -105.450 flat angles C4'-P-C4' energy: -104.117 flat angles P-C4'-P energy: -67.602 tors. eta vs tors. theta energy: -131.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1434.639470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.639470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.639470 (E_RNA) where: Base-Base interactions energy: -981.796 where: short stacking energy: -425.615 Base-Backbone interact. energy: -1.361 local terms energy: -451.482807 where: bonds (distance) C4'-P energy: -66.059 bonds (distance) P-C4' energy: -93.507 flat angles C4'-P-C4' energy: -101.665 flat angles P-C4'-P energy: -73.515 tors. eta vs tors. theta energy: -116.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1329.142255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.142255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.142255 (E_RNA) where: Base-Base interactions energy: -898.824 where: short stacking energy: -389.999 Base-Backbone interact. energy: -2.385 local terms energy: -427.933486 where: bonds (distance) C4'-P energy: -74.052 bonds (distance) P-C4' energy: -86.365 flat angles C4'-P-C4' energy: -105.206 flat angles P-C4'-P energy: -54.502 tors. eta vs tors. theta energy: -107.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -950.746896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.746896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.746896 (E_RNA) where: Base-Base interactions energy: -577.131 where: short stacking energy: -277.471 Base-Backbone interact. energy: 0.016 local terms energy: -373.631399 where: bonds (distance) C4'-P energy: -82.625 bonds (distance) P-C4' energy: -93.941 flat angles C4'-P-C4' energy: -77.230 flat angles P-C4'-P energy: -51.906 tors. eta vs tors. theta energy: -67.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -873.218960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.218960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.218960 (E_RNA) where: Base-Base interactions energy: -533.166 where: short stacking energy: -256.702 Base-Backbone interact. energy: -0.616 local terms energy: -339.437358 where: bonds (distance) C4'-P energy: -87.780 bonds (distance) P-C4' energy: -82.198 flat angles C4'-P-C4' energy: -79.400 flat angles P-C4'-P energy: -47.002 tors. eta vs tors. theta energy: -43.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -785.503096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.503096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.503096 (E_RNA) where: Base-Base interactions energy: -469.467 where: short stacking energy: -252.782 Base-Backbone interact. energy: -1.354 local terms energy: -314.682585 where: bonds (distance) C4'-P energy: -76.795 bonds (distance) P-C4' energy: -83.446 flat angles C4'-P-C4' energy: -65.788 flat angles P-C4'-P energy: -42.753 tors. eta vs tors. theta energy: -45.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -591.882838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.882838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.882838 (E_RNA) where: Base-Base interactions energy: -315.738 where: short stacking energy: -178.328 Base-Backbone interact. energy: -0.600 local terms energy: -275.545208 where: bonds (distance) C4'-P energy: -65.883 bonds (distance) P-C4' energy: -74.345 flat angles C4'-P-C4' energy: -60.767 flat angles P-C4'-P energy: -47.276 tors. eta vs tors. theta energy: -27.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -374.724626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.724626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.724626 (E_RNA) where: Base-Base interactions energy: -124.268 where: short stacking energy: -100.887 Base-Backbone interact. energy: 1.497 local terms energy: -251.953793 where: bonds (distance) C4'-P energy: -80.115 bonds (distance) P-C4' energy: -80.257 flat angles C4'-P-C4' energy: -62.413 flat angles P-C4'-P energy: -38.422 tors. eta vs tors. theta energy: 9.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1679.655988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.655988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.655988 (E_RNA) where: Base-Base interactions energy: -1159.449 where: short stacking energy: -505.916 Base-Backbone interact. energy: 0.943 local terms energy: -521.150036 where: bonds (distance) C4'-P energy: -89.918 bonds (distance) P-C4' energy: -93.260 flat angles C4'-P-C4' energy: -102.677 flat angles P-C4'-P energy: -69.786 tors. eta vs tors. theta energy: -165.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1546.667040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.667040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.667040 (E_RNA) where: Base-Base interactions energy: -1081.447 where: short stacking energy: -458.234 Base-Backbone interact. energy: -2.410 local terms energy: -462.810528 where: bonds (distance) C4'-P energy: -85.318 bonds (distance) P-C4' energy: -91.236 flat angles C4'-P-C4' energy: -97.185 flat angles P-C4'-P energy: -56.997 tors. eta vs tors. theta energy: -132.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1534.587252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.587252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.587252 (E_RNA) where: Base-Base interactions energy: -1061.102 where: short stacking energy: -463.684 Base-Backbone interact. energy: -3.903 local terms energy: -469.581926 where: bonds (distance) C4'-P energy: -81.025 bonds (distance) P-C4' energy: -97.909 flat angles C4'-P-C4' energy: -96.760 flat angles P-C4'-P energy: -57.410 tors. eta vs tors. theta energy: -136.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1442.828343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.828343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.828343 (E_RNA) where: Base-Base interactions energy: -979.290 where: short stacking energy: -441.863 Base-Backbone interact. energy: -1.873 local terms energy: -461.665224 where: bonds (distance) C4'-P energy: -92.532 bonds (distance) P-C4' energy: -78.352 flat angles C4'-P-C4' energy: -87.942 flat angles P-C4'-P energy: -66.043 tors. eta vs tors. theta energy: -136.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1328.533782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.533782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.533782 (E_RNA) where: Base-Base interactions energy: -890.802 where: short stacking energy: -416.144 Base-Backbone interact. energy: -1.972 local terms energy: -435.759476 where: bonds (distance) C4'-P energy: -80.358 bonds (distance) P-C4' energy: -82.961 flat angles C4'-P-C4' energy: -99.151 flat angles P-C4'-P energy: -61.193 tors. eta vs tors. theta energy: -112.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1045.963978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.963978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.963978 (E_RNA) where: Base-Base interactions energy: -684.355 where: short stacking energy: -289.532 Base-Backbone interact. energy: 4.663 local terms energy: -366.272140 where: bonds (distance) C4'-P energy: -69.840 bonds (distance) P-C4' energy: -93.140 flat angles C4'-P-C4' energy: -80.481 flat angles P-C4'-P energy: -61.401 tors. eta vs tors. theta energy: -61.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -892.094802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.094802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.094802 (E_RNA) where: Base-Base interactions energy: -550.589 where: short stacking energy: -281.328 Base-Backbone interact. energy: 0.161 local terms energy: -341.666597 where: bonds (distance) C4'-P energy: -74.702 bonds (distance) P-C4' energy: -86.753 flat angles C4'-P-C4' energy: -71.277 flat angles P-C4'-P energy: -54.994 tors. eta vs tors. theta energy: -53.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -773.881395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.881395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.881395 (E_RNA) where: Base-Base interactions energy: -459.672 where: short stacking energy: -212.265 Base-Backbone interact. energy: -0.167 local terms energy: -314.042478 where: bonds (distance) C4'-P energy: -86.507 bonds (distance) P-C4' energy: -80.819 flat angles C4'-P-C4' energy: -61.879 flat angles P-C4'-P energy: -50.854 tors. eta vs tors. theta energy: -33.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -638.143394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.143394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.143394 (E_RNA) where: Base-Base interactions energy: -362.649 where: short stacking energy: -195.506 Base-Backbone interact. energy: 7.876 local terms energy: -283.370001 where: bonds (distance) C4'-P energy: -67.978 bonds (distance) P-C4' energy: -82.003 flat angles C4'-P-C4' energy: -57.478 flat angles P-C4'-P energy: -48.494 tors. eta vs tors. theta energy: -27.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -388.056329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.056329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.056329 (E_RNA) where: Base-Base interactions energy: -116.506 where: short stacking energy: -102.175 Base-Backbone interact. energy: -1.045 local terms energy: -270.506268 where: bonds (distance) C4'-P energy: -82.656 bonds (distance) P-C4' energy: -71.076 flat angles C4'-P-C4' energy: -86.031 flat angles P-C4'-P energy: -44.886 tors. eta vs tors. theta energy: 14.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1688.147592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.147592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.147592 (E_RNA) where: Base-Base interactions energy: -1167.818 where: short stacking energy: -505.903 Base-Backbone interact. energy: 2.655 local terms energy: -522.983793 where: bonds (distance) C4'-P energy: -97.048 bonds (distance) P-C4' energy: -94.452 flat angles C4'-P-C4' energy: -105.347 flat angles P-C4'-P energy: -76.096 tors. eta vs tors. theta energy: -150.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1577.639092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.639092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.639092 (E_RNA) where: Base-Base interactions energy: -1102.146 where: short stacking energy: -459.044 Base-Backbone interact. energy: -3.369 local terms energy: -472.125072 where: bonds (distance) C4'-P energy: -78.822 bonds (distance) P-C4' energy: -91.511 flat angles C4'-P-C4' energy: -114.703 flat angles P-C4'-P energy: -72.217 tors. eta vs tors. theta energy: -114.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1472.520986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.520986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.520986 (E_RNA) where: Base-Base interactions energy: -1005.602 where: short stacking energy: -445.214 Base-Backbone interact. energy: 0.467 local terms energy: -467.386309 where: bonds (distance) C4'-P energy: -92.025 bonds (distance) P-C4' energy: -95.666 flat angles C4'-P-C4' energy: -91.706 flat angles P-C4'-P energy: -65.820 tors. eta vs tors. theta energy: -122.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1469.412677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.412677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.412677 (E_RNA) where: Base-Base interactions energy: -995.496 where: short stacking energy: -418.287 Base-Backbone interact. energy: 0.047 local terms energy: -473.963494 where: bonds (distance) C4'-P energy: -97.626 bonds (distance) P-C4' energy: -82.614 flat angles C4'-P-C4' energy: -96.602 flat angles P-C4'-P energy: -72.817 tors. eta vs tors. theta energy: -124.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1336.444070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.444070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.444070 (E_RNA) where: Base-Base interactions energy: -876.419 where: short stacking energy: -398.647 Base-Backbone interact. energy: -1.125 local terms energy: -458.900094 where: bonds (distance) C4'-P energy: -90.121 bonds (distance) P-C4' energy: -90.903 flat angles C4'-P-C4' energy: -91.946 flat angles P-C4'-P energy: -61.198 tors. eta vs tors. theta energy: -124.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1053.878237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.878237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.878237 (E_RNA) where: Base-Base interactions energy: -682.873 where: short stacking energy: -316.023 Base-Backbone interact. energy: -2.707 local terms energy: -368.298749 where: bonds (distance) C4'-P energy: -75.177 bonds (distance) P-C4' energy: -80.830 flat angles C4'-P-C4' energy: -88.022 flat angles P-C4'-P energy: -58.372 tors. eta vs tors. theta energy: -65.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -923.080160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.080160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.080160 (E_RNA) where: Base-Base interactions energy: -581.263 where: short stacking energy: -270.522 Base-Backbone interact. energy: 2.632 local terms energy: -344.449864 where: bonds (distance) C4'-P energy: -74.046 bonds (distance) P-C4' energy: -70.876 flat angles C4'-P-C4' energy: -91.452 flat angles P-C4'-P energy: -56.473 tors. eta vs tors. theta energy: -51.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -773.799538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.799538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.799538 (E_RNA) where: Base-Base interactions energy: -462.023 where: short stacking energy: -233.368 Base-Backbone interact. energy: 1.444 local terms energy: -313.219917 where: bonds (distance) C4'-P energy: -66.296 bonds (distance) P-C4' energy: -69.356 flat angles C4'-P-C4' energy: -79.648 flat angles P-C4'-P energy: -55.037 tors. eta vs tors. theta energy: -42.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -601.211059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.211059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.211059 (E_RNA) where: Base-Base interactions energy: -303.342 where: short stacking energy: -184.589 Base-Backbone interact. energy: 4.447 local terms energy: -302.315900 where: bonds (distance) C4'-P energy: -71.852 bonds (distance) P-C4' energy: -78.982 flat angles C4'-P-C4' energy: -83.573 flat angles P-C4'-P energy: -51.267 tors. eta vs tors. theta energy: -16.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -400.760991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.760991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.760991 (E_RNA) where: Base-Base interactions energy: -148.348 where: short stacking energy: -115.426 Base-Backbone interact. energy: -1.318 local terms energy: -251.094793 where: bonds (distance) C4'-P energy: -75.694 bonds (distance) P-C4' energy: -74.603 flat angles C4'-P-C4' energy: -64.321 flat angles P-C4'-P energy: -45.780 tors. eta vs tors. theta energy: 9.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1686.179067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.179067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.179067 (E_RNA) where: Base-Base interactions energy: -1157.207 where: short stacking energy: -497.664 Base-Backbone interact. energy: -1.607 local terms energy: -527.365134 where: bonds (distance) C4'-P energy: -91.943 bonds (distance) P-C4' energy: -101.181 flat angles C4'-P-C4' energy: -115.899 flat angles P-C4'-P energy: -75.713 tors. eta vs tors. theta energy: -142.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1587.743565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.743565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.743565 (E_RNA) where: Base-Base interactions energy: -1096.727 where: short stacking energy: -458.561 Base-Backbone interact. energy: -2.901 local terms energy: -488.116060 where: bonds (distance) C4'-P energy: -92.659 bonds (distance) P-C4' energy: -89.914 flat angles C4'-P-C4' energy: -95.604 flat angles P-C4'-P energy: -73.222 tors. eta vs tors. theta energy: -136.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1489.147517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.147517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.147517 (E_RNA) where: Base-Base interactions energy: -1034.578 where: short stacking energy: -453.842 Base-Backbone interact. energy: 5.953 local terms energy: -460.522447 where: bonds (distance) C4'-P energy: -71.977 bonds (distance) P-C4' energy: -99.370 flat angles C4'-P-C4' energy: -95.748 flat angles P-C4'-P energy: -63.082 tors. eta vs tors. theta energy: -130.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1449.175984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.175984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.175984 (E_RNA) where: Base-Base interactions energy: -999.897 where: short stacking energy: -429.944 Base-Backbone interact. energy: -1.453 local terms energy: -447.826175 where: bonds (distance) C4'-P energy: -80.863 bonds (distance) P-C4' energy: -80.288 flat angles C4'-P-C4' energy: -99.160 flat angles P-C4'-P energy: -66.907 tors. eta vs tors. theta energy: -120.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1279.865644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.865644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.865644 (E_RNA) where: Base-Base interactions energy: -885.324 where: short stacking energy: -401.119 Base-Backbone interact. energy: -0.709 local terms energy: -393.832571 where: bonds (distance) C4'-P energy: -75.734 bonds (distance) P-C4' energy: -80.837 flat angles C4'-P-C4' energy: -84.416 flat angles P-C4'-P energy: -61.306 tors. eta vs tors. theta energy: -91.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1020.352083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.352083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.352083 (E_RNA) where: Base-Base interactions energy: -644.414 where: short stacking energy: -296.241 Base-Backbone interact. energy: -0.509 local terms energy: -375.429531 where: bonds (distance) C4'-P energy: -83.783 bonds (distance) P-C4' energy: -83.643 flat angles C4'-P-C4' energy: -92.012 flat angles P-C4'-P energy: -50.598 tors. eta vs tors. theta energy: -65.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -941.442972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.442972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.442972 (E_RNA) where: Base-Base interactions energy: -556.688 where: short stacking energy: -269.010 Base-Backbone interact. energy: -3.177 local terms energy: -381.577874 where: bonds (distance) C4'-P energy: -81.848 bonds (distance) P-C4' energy: -78.462 flat angles C4'-P-C4' energy: -97.239 flat angles P-C4'-P energy: -70.526 tors. eta vs tors. theta energy: -53.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -814.872398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.872398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.872398 (E_RNA) where: Base-Base interactions energy: -500.038 where: short stacking energy: -230.080 Base-Backbone interact. energy: -0.705 local terms energy: -314.129512 where: bonds (distance) C4'-P energy: -90.013 bonds (distance) P-C4' energy: -78.748 flat angles C4'-P-C4' energy: -69.710 flat angles P-C4'-P energy: -32.409 tors. eta vs tors. theta energy: -43.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -685.217707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.217707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.217707 (E_RNA) where: Base-Base interactions energy: -391.203 where: short stacking energy: -213.518 Base-Backbone interact. energy: -2.134 local terms energy: -291.880680 where: bonds (distance) C4'-P energy: -82.032 bonds (distance) P-C4' energy: -76.401 flat angles C4'-P-C4' energy: -59.363 flat angles P-C4'-P energy: -47.025 tors. eta vs tors. theta energy: -27.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -386.388950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.388950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.388950 (E_RNA) where: Base-Base interactions energy: -149.844 where: short stacking energy: -127.557 Base-Backbone interact. energy: -0.895 local terms energy: -235.650782 where: bonds (distance) C4'-P energy: -67.882 bonds (distance) P-C4' energy: -90.789 flat angles C4'-P-C4' energy: -54.458 flat angles P-C4'-P energy: -38.828 tors. eta vs tors. theta energy: 16.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1676.991825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.991825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.991825 (E_RNA) where: Base-Base interactions energy: -1163.831 where: short stacking energy: -516.063 Base-Backbone interact. energy: -0.093 local terms energy: -513.068007 where: bonds (distance) C4'-P energy: -87.724 bonds (distance) P-C4' energy: -96.666 flat angles C4'-P-C4' energy: -108.492 flat angles P-C4'-P energy: -65.844 tors. eta vs tors. theta energy: -154.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1598.726667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.726667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.726667 (E_RNA) where: Base-Base interactions energy: -1111.106 where: short stacking energy: -451.076 Base-Backbone interact. energy: -0.953 local terms energy: -486.667680 where: bonds (distance) C4'-P energy: -98.158 bonds (distance) P-C4' energy: -88.034 flat angles C4'-P-C4' energy: -96.965 flat angles P-C4'-P energy: -70.334 tors. eta vs tors. theta energy: -133.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1473.107993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.107993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.107993 (E_RNA) where: Base-Base interactions energy: -1005.289 where: short stacking energy: -433.589 Base-Backbone interact. energy: -3.286 local terms energy: -464.533229 where: bonds (distance) C4'-P energy: -92.022 bonds (distance) P-C4' energy: -82.257 flat angles C4'-P-C4' energy: -100.956 flat angles P-C4'-P energy: -60.409 tors. eta vs tors. theta energy: -128.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1450.946310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.946310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.946310 (E_RNA) where: Base-Base interactions energy: -998.748 where: short stacking energy: -437.577 Base-Backbone interact. energy: 0.175 local terms energy: -452.373041 where: bonds (distance) C4'-P energy: -76.549 bonds (distance) P-C4' energy: -83.115 flat angles C4'-P-C4' energy: -103.527 flat angles P-C4'-P energy: -69.279 tors. eta vs tors. theta energy: -119.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1256.375907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.375907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.375907 (E_RNA) where: Base-Base interactions energy: -853.551 where: short stacking energy: -376.817 Base-Backbone interact. energy: 1.248 local terms energy: -404.072997 where: bonds (distance) C4'-P energy: -86.470 bonds (distance) P-C4' energy: -84.461 flat angles C4'-P-C4' energy: -79.837 flat angles P-C4'-P energy: -47.673 tors. eta vs tors. theta energy: -105.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1062.870154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.870154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.870154 (E_RNA) where: Base-Base interactions energy: -691.673 where: short stacking energy: -336.791 Base-Backbone interact. energy: -3.936 local terms energy: -367.261263 where: bonds (distance) C4'-P energy: -71.851 bonds (distance) P-C4' energy: -80.442 flat angles C4'-P-C4' energy: -85.029 flat angles P-C4'-P energy: -53.635 tors. eta vs tors. theta energy: -76.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -909.271208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.271208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.271208 (E_RNA) where: Base-Base interactions energy: -559.730 where: short stacking energy: -274.096 Base-Backbone interact. energy: -0.468 local terms energy: -349.072887 where: bonds (distance) C4'-P energy: -78.060 bonds (distance) P-C4' energy: -90.042 flat angles C4'-P-C4' energy: -79.850 flat angles P-C4'-P energy: -57.620 tors. eta vs tors. theta energy: -43.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -892.173691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.173691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.173691 (E_RNA) where: Base-Base interactions energy: -540.187 where: short stacking energy: -255.274 Base-Backbone interact. energy: 4.162 local terms energy: -356.148585 where: bonds (distance) C4'-P energy: -73.279 bonds (distance) P-C4' energy: -87.701 flat angles C4'-P-C4' energy: -88.617 flat angles P-C4'-P energy: -48.983 tors. eta vs tors. theta energy: -57.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -680.568132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.568132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.568132 (E_RNA) where: Base-Base interactions energy: -371.909 where: short stacking energy: -210.191 Base-Backbone interact. energy: -3.104 local terms energy: -305.554961 where: bonds (distance) C4'-P energy: -73.808 bonds (distance) P-C4' energy: -81.833 flat angles C4'-P-C4' energy: -72.884 flat angles P-C4'-P energy: -46.869 tors. eta vs tors. theta energy: -30.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -431.870637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.870637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.870637 (E_RNA) where: Base-Base interactions energy: -181.402 where: short stacking energy: -132.745 Base-Backbone interact. energy: -0.818 local terms energy: -249.650275 where: bonds (distance) C4'-P energy: -73.972 bonds (distance) P-C4' energy: -80.447 flat angles C4'-P-C4' energy: -58.639 flat angles P-C4'-P energy: -42.287 tors. eta vs tors. theta energy: 5.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1685.779197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.779197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.779197 (E_RNA) where: Base-Base interactions energy: -1156.728 where: short stacking energy: -499.127 Base-Backbone interact. energy: -0.752 local terms energy: -528.299779 where: bonds (distance) C4'-P energy: -100.241 bonds (distance) P-C4' energy: -100.386 flat angles C4'-P-C4' energy: -108.244 flat angles P-C4'-P energy: -76.484 tors. eta vs tors. theta energy: -142.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1643.418869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.418869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.418869 (E_RNA) where: Base-Base interactions energy: -1106.221 where: short stacking energy: -487.066 Base-Backbone interact. energy: -1.726 local terms energy: -535.472292 where: bonds (distance) C4'-P energy: -85.695 bonds (distance) P-C4' energy: -107.976 flat angles C4'-P-C4' energy: -112.448 flat angles P-C4'-P energy: -72.112 tors. eta vs tors. theta energy: -157.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1491.011546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.011546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.011546 (E_RNA) where: Base-Base interactions energy: -1011.363 where: short stacking energy: -445.992 Base-Backbone interact. energy: -1.564 local terms energy: -478.085104 where: bonds (distance) C4'-P energy: -77.423 bonds (distance) P-C4' energy: -92.743 flat angles C4'-P-C4' energy: -111.266 flat angles P-C4'-P energy: -62.704 tors. eta vs tors. theta energy: -133.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1415.422974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.422974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.422974 (E_RNA) where: Base-Base interactions energy: -954.094 where: short stacking energy: -437.987 Base-Backbone interact. energy: -1.452 local terms energy: -459.876644 where: bonds (distance) C4'-P energy: -90.652 bonds (distance) P-C4' energy: -77.443 flat angles C4'-P-C4' energy: -101.837 flat angles P-C4'-P energy: -63.173 tors. eta vs tors. theta energy: -126.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1303.454052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.454052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.454052 (E_RNA) where: Base-Base interactions energy: -868.923 where: short stacking energy: -386.138 Base-Backbone interact. energy: 0.762 local terms energy: -435.293027 where: bonds (distance) C4'-P energy: -92.495 bonds (distance) P-C4' energy: -85.881 flat angles C4'-P-C4' energy: -92.676 flat angles P-C4'-P energy: -69.756 tors. eta vs tors. theta energy: -94.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1084.774001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.774001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.774001 (E_RNA) where: Base-Base interactions energy: -700.917 where: short stacking energy: -326.552 Base-Backbone interact. energy: -1.172 local terms energy: -382.685518 where: bonds (distance) C4'-P energy: -86.447 bonds (distance) P-C4' energy: -85.262 flat angles C4'-P-C4' energy: -81.812 flat angles P-C4'-P energy: -48.995 tors. eta vs tors. theta energy: -80.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1006.139531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.139531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.139531 (E_RNA) where: Base-Base interactions energy: -649.919 where: short stacking energy: -300.038 Base-Backbone interact. energy: -2.095 local terms energy: -354.125289 where: bonds (distance) C4'-P energy: -69.675 bonds (distance) P-C4' energy: -80.142 flat angles C4'-P-C4' energy: -86.713 flat angles P-C4'-P energy: -49.508 tors. eta vs tors. theta energy: -68.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -798.220846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.220846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.220846 (E_RNA) where: Base-Base interactions energy: -482.836 where: short stacking energy: -246.186 Base-Backbone interact. energy: 0.922 local terms energy: -316.306253 where: bonds (distance) C4'-P energy: -84.156 bonds (distance) P-C4' energy: -80.090 flat angles C4'-P-C4' energy: -78.076 flat angles P-C4'-P energy: -45.734 tors. eta vs tors. theta energy: -28.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -651.836416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.836416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.836416 (E_RNA) where: Base-Base interactions energy: -352.638 where: short stacking energy: -186.263 Base-Backbone interact. energy: -0.251 local terms energy: -298.947216 where: bonds (distance) C4'-P energy: -83.882 bonds (distance) P-C4' energy: -81.638 flat angles C4'-P-C4' energy: -68.901 flat angles P-C4'-P energy: -42.725 tors. eta vs tors. theta energy: -21.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -423.848327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.848327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.848327 (E_RNA) where: Base-Base interactions energy: -181.619 where: short stacking energy: -130.149 Base-Backbone interact. energy: 4.379 local terms energy: -246.608798 where: bonds (distance) C4'-P energy: -67.715 bonds (distance) P-C4' energy: -84.614 flat angles C4'-P-C4' energy: -52.418 flat angles P-C4'-P energy: -38.913 tors. eta vs tors. theta energy: -2.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1646.953746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.953746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.953746 (E_RNA) where: Base-Base interactions energy: -1147.810 where: short stacking energy: -490.513 Base-Backbone interact. energy: -3.264 local terms energy: -495.879808 where: bonds (distance) C4'-P energy: -89.338 bonds (distance) P-C4' energy: -97.461 flat angles C4'-P-C4' energy: -102.162 flat angles P-C4'-P energy: -68.549 tors. eta vs tors. theta energy: -138.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1654.775413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.775413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.775413 (E_RNA) where: Base-Base interactions energy: -1139.466 where: short stacking energy: -489.227 Base-Backbone interact. energy: -2.523 local terms energy: -512.786227 where: bonds (distance) C4'-P energy: -87.186 bonds (distance) P-C4' energy: -89.473 flat angles C4'-P-C4' energy: -107.686 flat angles P-C4'-P energy: -72.547 tors. eta vs tors. theta energy: -155.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1485.829125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.829125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.829125 (E_RNA) where: Base-Base interactions energy: -1034.719 where: short stacking energy: -445.405 Base-Backbone interact. energy: -1.048 local terms energy: -450.061159 where: bonds (distance) C4'-P energy: -79.034 bonds (distance) P-C4' energy: -80.516 flat angles C4'-P-C4' energy: -92.794 flat angles P-C4'-P energy: -73.616 tors. eta vs tors. theta energy: -124.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1428.002075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.002075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.002075 (E_RNA) where: Base-Base interactions energy: -967.291 where: short stacking energy: -442.054 Base-Backbone interact. energy: -1.060 local terms energy: -459.651805 where: bonds (distance) C4'-P energy: -90.322 bonds (distance) P-C4' energy: -75.871 flat angles C4'-P-C4' energy: -107.295 flat angles P-C4'-P energy: -72.488 tors. eta vs tors. theta energy: -113.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1283.402281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.402281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.402281 (E_RNA) where: Base-Base interactions energy: -873.832 where: short stacking energy: -373.914 Base-Backbone interact. energy: 0.019 local terms energy: -409.588540 where: bonds (distance) C4'-P energy: -75.957 bonds (distance) P-C4' energy: -87.903 flat angles C4'-P-C4' energy: -89.274 flat angles P-C4'-P energy: -54.190 tors. eta vs tors. theta energy: -102.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1060.375398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.375398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.375398 (E_RNA) where: Base-Base interactions energy: -670.586 where: short stacking energy: -336.875 Base-Backbone interact. energy: -2.603 local terms energy: -387.185690 where: bonds (distance) C4'-P energy: -88.276 bonds (distance) P-C4' energy: -86.888 flat angles C4'-P-C4' energy: -95.866 flat angles P-C4'-P energy: -54.027 tors. eta vs tors. theta energy: -62.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -961.128741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.128741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.128741 (E_RNA) where: Base-Base interactions energy: -606.537 where: short stacking energy: -315.343 Base-Backbone interact. energy: -0.374 local terms energy: -354.217852 where: bonds (distance) C4'-P energy: -79.334 bonds (distance) P-C4' energy: -81.865 flat angles C4'-P-C4' energy: -74.627 flat angles P-C4'-P energy: -52.045 tors. eta vs tors. theta energy: -66.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -762.791715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.791715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.791715 (E_RNA) where: Base-Base interactions energy: -443.028 where: short stacking energy: -191.338 Base-Backbone interact. energy: -2.083 local terms energy: -317.680096 where: bonds (distance) C4'-P energy: -74.022 bonds (distance) P-C4' energy: -78.459 flat angles C4'-P-C4' energy: -84.918 flat angles P-C4'-P energy: -54.973 tors. eta vs tors. theta energy: -25.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -564.771425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.771425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.771425 (E_RNA) where: Base-Base interactions energy: -271.373 where: short stacking energy: -170.222 Base-Backbone interact. energy: -2.618 local terms energy: -290.780973 where: bonds (distance) C4'-P energy: -87.218 bonds (distance) P-C4' energy: -76.807 flat angles C4'-P-C4' energy: -61.191 flat angles P-C4'-P energy: -45.241 tors. eta vs tors. theta energy: -20.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -348.547392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.547392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.547392 (E_RNA) where: Base-Base interactions energy: -103.796 where: short stacking energy: -93.707 Base-Backbone interact. energy: -0.039 local terms energy: -244.712257 where: bonds (distance) C4'-P energy: -88.328 bonds (distance) P-C4' energy: -81.173 flat angles C4'-P-C4' energy: -61.563 flat angles P-C4'-P energy: -32.547 tors. eta vs tors. theta energy: 18.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1702.850997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.850997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.850997 (E_RNA) where: Base-Base interactions energy: -1144.417 where: short stacking energy: -521.328 Base-Backbone interact. energy: -1.514 local terms energy: -556.919988 where: bonds (distance) C4'-P energy: -96.330 bonds (distance) P-C4' energy: -101.178 flat angles C4'-P-C4' energy: -115.623 flat angles P-C4'-P energy: -80.954 tors. eta vs tors. theta energy: -162.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1623.761838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.761838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.761838 (E_RNA) where: Base-Base interactions energy: -1126.803 where: short stacking energy: -488.207 Base-Backbone interact. energy: -1.947 local terms energy: -495.011571 where: bonds (distance) C4'-P energy: -93.318 bonds (distance) P-C4' energy: -98.387 flat angles C4'-P-C4' energy: -103.023 flat angles P-C4'-P energy: -58.863 tors. eta vs tors. theta energy: -141.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1461.674188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.674188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.674188 (E_RNA) where: Base-Base interactions energy: -985.166 where: short stacking energy: -425.572 Base-Backbone interact. energy: -2.168 local terms energy: -474.339808 where: bonds (distance) C4'-P energy: -89.236 bonds (distance) P-C4' energy: -92.398 flat angles C4'-P-C4' energy: -95.562 flat angles P-C4'-P energy: -66.794 tors. eta vs tors. theta energy: -130.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1412.120454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.120454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.120454 (E_RNA) where: Base-Base interactions energy: -970.033 where: short stacking energy: -435.261 Base-Backbone interact. energy: -2.485 local terms energy: -439.602858 where: bonds (distance) C4'-P energy: -94.469 bonds (distance) P-C4' energy: -87.968 flat angles C4'-P-C4' energy: -94.682 flat angles P-C4'-P energy: -48.863 tors. eta vs tors. theta energy: -113.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1267.924806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.924806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.924806 (E_RNA) where: Base-Base interactions energy: -840.942 where: short stacking energy: -355.686 Base-Backbone interact. energy: -1.314 local terms energy: -425.668745 where: bonds (distance) C4'-P energy: -86.715 bonds (distance) P-C4' energy: -90.470 flat angles C4'-P-C4' energy: -96.861 flat angles P-C4'-P energy: -59.887 tors. eta vs tors. theta energy: -91.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1067.811681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.811681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.811681 (E_RNA) where: Base-Base interactions energy: -678.442 where: short stacking energy: -312.108 Base-Backbone interact. energy: -0.234 local terms energy: -389.136197 where: bonds (distance) C4'-P energy: -76.984 bonds (distance) P-C4' energy: -77.758 flat angles C4'-P-C4' energy: -98.624 flat angles P-C4'-P energy: -59.417 tors. eta vs tors. theta energy: -76.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -955.718624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.718624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.718624 (E_RNA) where: Base-Base interactions energy: -591.953 where: short stacking energy: -288.729 Base-Backbone interact. energy: -1.928 local terms energy: -361.837868 where: bonds (distance) C4'-P energy: -66.508 bonds (distance) P-C4' energy: -80.506 flat angles C4'-P-C4' energy: -87.203 flat angles P-C4'-P energy: -62.276 tors. eta vs tors. theta energy: -65.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -778.138574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.138574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.138574 (E_RNA) where: Base-Base interactions energy: -433.966 where: short stacking energy: -218.976 Base-Backbone interact. energy: -2.356 local terms energy: -341.816579 where: bonds (distance) C4'-P energy: -88.739 bonds (distance) P-C4' energy: -81.573 flat angles C4'-P-C4' energy: -78.682 flat angles P-C4'-P energy: -53.876 tors. eta vs tors. theta energy: -38.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -571.988553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.988553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.988553 (E_RNA) where: Base-Base interactions energy: -275.408 where: short stacking energy: -157.529 Base-Backbone interact. energy: 3.246 local terms energy: -299.827055 where: bonds (distance) C4'-P energy: -77.645 bonds (distance) P-C4' energy: -86.601 flat angles C4'-P-C4' energy: -83.258 flat angles P-C4'-P energy: -32.621 tors. eta vs tors. theta energy: -19.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -410.477333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.477333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.477333 (E_RNA) where: Base-Base interactions energy: -166.024 where: short stacking energy: -126.543 Base-Backbone interact. energy: 1.849 local terms energy: -246.302269 where: bonds (distance) C4'-P energy: -68.956 bonds (distance) P-C4' energy: -80.782 flat angles C4'-P-C4' energy: -61.606 flat angles P-C4'-P energy: -36.202 tors. eta vs tors. theta energy: 1.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1673.066045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.066045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.066045 (E_RNA) where: Base-Base interactions energy: -1147.163 where: short stacking energy: -507.712 Base-Backbone interact. energy: 0.595 local terms energy: -526.498584 where: bonds (distance) C4'-P energy: -88.892 bonds (distance) P-C4' energy: -96.796 flat angles C4'-P-C4' energy: -102.401 flat angles P-C4'-P energy: -76.131 tors. eta vs tors. theta energy: -162.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1598.892550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.892550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.892550 (E_RNA) where: Base-Base interactions energy: -1104.168 where: short stacking energy: -489.310 Base-Backbone interact. energy: -2.061 local terms energy: -492.663926 where: bonds (distance) C4'-P energy: -86.912 bonds (distance) P-C4' energy: -84.151 flat angles C4'-P-C4' energy: -109.485 flat angles P-C4'-P energy: -69.060 tors. eta vs tors. theta energy: -143.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1480.177262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.177262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.177262 (E_RNA) where: Base-Base interactions energy: -1019.604 where: short stacking energy: -453.815 Base-Backbone interact. energy: -1.505 local terms energy: -459.067995 where: bonds (distance) C4'-P energy: -74.974 bonds (distance) P-C4' energy: -93.775 flat angles C4'-P-C4' energy: -98.497 flat angles P-C4'-P energy: -65.709 tors. eta vs tors. theta energy: -126.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1392.445573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.445573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.445573 (E_RNA) where: Base-Base interactions energy: -958.126 where: short stacking energy: -410.228 Base-Backbone interact. energy: -2.866 local terms energy: -431.453346 where: bonds (distance) C4'-P energy: -77.133 bonds (distance) P-C4' energy: -79.681 flat angles C4'-P-C4' energy: -97.665 flat angles P-C4'-P energy: -64.263 tors. eta vs tors. theta energy: -112.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1273.286434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.286434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.286434 (E_RNA) where: Base-Base interactions energy: -846.830 where: short stacking energy: -382.946 Base-Backbone interact. energy: -2.066 local terms energy: -424.389911 where: bonds (distance) C4'-P energy: -79.556 bonds (distance) P-C4' energy: -87.288 flat angles C4'-P-C4' energy: -92.077 flat angles P-C4'-P energy: -57.521 tors. eta vs tors. theta energy: -107.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1099.776779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.776779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.776779 (E_RNA) where: Base-Base interactions energy: -702.096 where: short stacking energy: -343.893 Base-Backbone interact. energy: 1.886 local terms energy: -399.567288 where: bonds (distance) C4'-P energy: -81.833 bonds (distance) P-C4' energy: -72.901 flat angles C4'-P-C4' energy: -97.038 flat angles P-C4'-P energy: -58.096 tors. eta vs tors. theta energy: -89.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -935.786217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.786217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.786217 (E_RNA) where: Base-Base interactions energy: -563.048 where: short stacking energy: -282.471 Base-Backbone interact. energy: 4.028 local terms energy: -376.766268 where: bonds (distance) C4'-P energy: -78.057 bonds (distance) P-C4' energy: -82.306 flat angles C4'-P-C4' energy: -80.451 flat angles P-C4'-P energy: -61.182 tors. eta vs tors. theta energy: -74.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -771.967381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.967381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.967381 (E_RNA) where: Base-Base interactions energy: -435.975 where: short stacking energy: -229.520 Base-Backbone interact. energy: 1.057 local terms energy: -337.049529 where: bonds (distance) C4'-P energy: -89.680 bonds (distance) P-C4' energy: -84.899 flat angles C4'-P-C4' energy: -79.910 flat angles P-C4'-P energy: -47.239 tors. eta vs tors. theta energy: -35.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -540.058180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.058180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.058180 (E_RNA) where: Base-Base interactions energy: -264.090 where: short stacking energy: -159.384 Base-Backbone interact. energy: -0.716 local terms energy: -275.251801 where: bonds (distance) C4'-P energy: -62.026 bonds (distance) P-C4' energy: -77.942 flat angles C4'-P-C4' energy: -69.999 flat angles P-C4'-P energy: -50.734 tors. eta vs tors. theta energy: -14.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -383.147987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.147987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.147987 (E_RNA) where: Base-Base interactions energy: -145.525 where: short stacking energy: -102.706 Base-Backbone interact. energy: 8.115 local terms energy: -245.738831 where: bonds (distance) C4'-P energy: -78.733 bonds (distance) P-C4' energy: -81.590 flat angles C4'-P-C4' energy: -60.849 flat angles P-C4'-P energy: -43.805 tors. eta vs tors. theta energy: 19.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1692.161579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.161579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.161579 (E_RNA) where: Base-Base interactions energy: -1166.103 where: short stacking energy: -519.153 Base-Backbone interact. energy: -3.329 local terms energy: -522.729812 where: bonds (distance) C4'-P energy: -87.645 bonds (distance) P-C4' energy: -91.303 flat angles C4'-P-C4' energy: -102.402 flat angles P-C4'-P energy: -75.601 tors. eta vs tors. theta energy: -165.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1617.325511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.325511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.325511 (E_RNA) where: Base-Base interactions energy: -1127.979 where: short stacking energy: -483.114 Base-Backbone interact. energy: -3.660 local terms energy: -485.686810 where: bonds (distance) C4'-P energy: -94.463 bonds (distance) P-C4' energy: -82.553 flat angles C4'-P-C4' energy: -102.678 flat angles P-C4'-P energy: -69.491 tors. eta vs tors. theta energy: -136.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1483.584946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.584946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.584946 (E_RNA) where: Base-Base interactions energy: -1023.275 where: short stacking energy: -435.140 Base-Backbone interact. energy: -0.635 local terms energy: -459.674703 where: bonds (distance) C4'-P energy: -76.254 bonds (distance) P-C4' energy: -90.783 flat angles C4'-P-C4' energy: -108.161 flat angles P-C4'-P energy: -63.698 tors. eta vs tors. theta energy: -120.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1379.833427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.833427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.833427 (E_RNA) where: Base-Base interactions energy: -970.860 where: short stacking energy: -419.733 Base-Backbone interact. energy: -4.763 local terms energy: -404.210938 where: bonds (distance) C4'-P energy: -74.483 bonds (distance) P-C4' energy: -67.436 flat angles C4'-P-C4' energy: -97.788 flat angles P-C4'-P energy: -49.945 tors. eta vs tors. theta energy: -114.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1282.568492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.568492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.568492 (E_RNA) where: Base-Base interactions energy: -845.809 where: short stacking energy: -382.723 Base-Backbone interact. energy: 1.831 local terms energy: -438.590421 where: bonds (distance) C4'-P energy: -90.246 bonds (distance) P-C4' energy: -89.675 flat angles C4'-P-C4' energy: -92.961 flat angles P-C4'-P energy: -53.052 tors. eta vs tors. theta energy: -112.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1113.999149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.999149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.999149 (E_RNA) where: Base-Base interactions energy: -728.778 where: short stacking energy: -349.810 Base-Backbone interact. energy: 3.389 local terms energy: -388.610200 where: bonds (distance) C4'-P energy: -74.197 bonds (distance) P-C4' energy: -81.483 flat angles C4'-P-C4' energy: -87.691 flat angles P-C4'-P energy: -49.096 tors. eta vs tors. theta energy: -96.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -952.096226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.096226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.096226 (E_RNA) where: Base-Base interactions energy: -584.619 where: short stacking energy: -292.347 Base-Backbone interact. energy: -3.212 local terms energy: -364.265266 where: bonds (distance) C4'-P energy: -75.580 bonds (distance) P-C4' energy: -77.330 flat angles C4'-P-C4' energy: -92.460 flat angles P-C4'-P energy: -58.309 tors. eta vs tors. theta energy: -60.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -760.844266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.844266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.844266 (E_RNA) where: Base-Base interactions energy: -440.439 where: short stacking energy: -222.422 Base-Backbone interact. energy: 3.130 local terms energy: -323.535519 where: bonds (distance) C4'-P energy: -87.031 bonds (distance) P-C4' energy: -72.861 flat angles C4'-P-C4' energy: -80.215 flat angles P-C4'-P energy: -53.929 tors. eta vs tors. theta energy: -29.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -596.232576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.232576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.232576 (E_RNA) where: Base-Base interactions energy: -320.890 where: short stacking energy: -182.988 Base-Backbone interact. energy: -2.578 local terms energy: -272.764632 where: bonds (distance) C4'-P energy: -64.492 bonds (distance) P-C4' energy: -82.244 flat angles C4'-P-C4' energy: -79.790 flat angles P-C4'-P energy: -32.005 tors. eta vs tors. theta energy: -14.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -364.660208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.660208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.660208 (E_RNA) where: Base-Base interactions energy: -129.137 where: short stacking energy: -115.427 Base-Backbone interact. energy: 2.101 local terms energy: -237.624230 where: bonds (distance) C4'-P energy: -76.561 bonds (distance) P-C4' energy: -75.966 flat angles C4'-P-C4' energy: -56.059 flat angles P-C4'-P energy: -42.453 tors. eta vs tors. theta energy: 13.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1692.881224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.881224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.881224 (E_RNA) where: Base-Base interactions energy: -1162.904 where: short stacking energy: -500.930 Base-Backbone interact. energy: -0.283 local terms energy: -529.695067 where: bonds (distance) C4'-P energy: -91.204 bonds (distance) P-C4' energy: -85.875 flat angles C4'-P-C4' energy: -116.253 flat angles P-C4'-P energy: -82.134 tors. eta vs tors. theta energy: -154.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1599.691447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.691447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.691447 (E_RNA) where: Base-Base interactions energy: -1096.673 where: short stacking energy: -489.666 Base-Backbone interact. energy: -1.388 local terms energy: -501.631116 where: bonds (distance) C4'-P energy: -86.425 bonds (distance) P-C4' energy: -93.533 flat angles C4'-P-C4' energy: -108.163 flat angles P-C4'-P energy: -67.811 tors. eta vs tors. theta energy: -145.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1472.076692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.076692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.076692 (E_RNA) where: Base-Base interactions energy: -1001.336 where: short stacking energy: -447.863 Base-Backbone interact. energy: -1.334 local terms energy: -469.406713 where: bonds (distance) C4'-P energy: -98.099 bonds (distance) P-C4' energy: -75.691 flat angles C4'-P-C4' energy: -100.236 flat angles P-C4'-P energy: -67.473 tors. eta vs tors. theta energy: -127.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1412.243353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.243353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.243353 (E_RNA) where: Base-Base interactions energy: -969.043 where: short stacking energy: -431.040 Base-Backbone interact. energy: -3.501 local terms energy: -439.699775 where: bonds (distance) C4'-P energy: -80.208 bonds (distance) P-C4' energy: -83.751 flat angles C4'-P-C4' energy: -98.686 flat angles P-C4'-P energy: -67.483 tors. eta vs tors. theta energy: -109.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -1288.276460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.276460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.276460 (E_RNA) where: Base-Base interactions energy: -864.046 where: short stacking energy: -402.421 Base-Backbone interact. energy: 0.919 local terms energy: -425.149851 where: bonds (distance) C4'-P energy: -87.875 bonds (distance) P-C4' energy: -83.259 flat angles C4'-P-C4' energy: -96.149 flat angles P-C4'-P energy: -51.833 tors. eta vs tors. theta energy: -106.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1086.932698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.932698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.932698 (E_RNA) where: Base-Base interactions energy: -670.082 where: short stacking energy: -337.221 Base-Backbone interact. energy: -1.429 local terms energy: -415.421500 where: bonds (distance) C4'-P energy: -86.269 bonds (distance) P-C4' energy: -84.042 flat angles C4'-P-C4' energy: -95.370 flat angles P-C4'-P energy: -58.877 tors. eta vs tors. theta energy: -90.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -911.278387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.278387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.278387 (E_RNA) where: Base-Base interactions energy: -542.707 where: short stacking energy: -273.783 Base-Backbone interact. energy: 1.839 local terms energy: -370.410964 where: bonds (distance) C4'-P energy: -90.926 bonds (distance) P-C4' energy: -84.366 flat angles C4'-P-C4' energy: -82.748 flat angles P-C4'-P energy: -58.303 tors. eta vs tors. theta energy: -54.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -752.594680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.594680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.594680 (E_RNA) where: Base-Base interactions energy: -432.335 where: short stacking energy: -217.799 Base-Backbone interact. energy: 1.431 local terms energy: -321.689921 where: bonds (distance) C4'-P energy: -84.609 bonds (distance) P-C4' energy: -90.040 flat angles C4'-P-C4' energy: -64.410 flat angles P-C4'-P energy: -54.338 tors. eta vs tors. theta energy: -28.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -537.829656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.829656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.829656 (E_RNA) where: Base-Base interactions energy: -259.869 where: short stacking energy: -139.671 Base-Backbone interact. energy: -1.845 local terms energy: -276.116238 where: bonds (distance) C4'-P energy: -76.791 bonds (distance) P-C4' energy: -82.148 flat angles C4'-P-C4' energy: -61.151 flat angles P-C4'-P energy: -59.464 tors. eta vs tors. theta energy: 3.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -363.359171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.359171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.359171 (E_RNA) where: Base-Base interactions energy: -127.833 where: short stacking energy: -109.847 Base-Backbone interact. energy: -2.954 local terms energy: -232.572338 where: bonds (distance) C4'-P energy: -72.919 bonds (distance) P-C4' energy: -70.100 flat angles C4'-P-C4' energy: -58.770 flat angles P-C4'-P energy: -44.945 tors. eta vs tors. theta energy: 14.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1690.744314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.744314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.744314 (E_RNA) where: Base-Base interactions energy: -1159.008 where: short stacking energy: -513.466 Base-Backbone interact. energy: -3.071 local terms energy: -528.665065 where: bonds (distance) C4'-P energy: -93.691 bonds (distance) P-C4' energy: -85.352 flat angles C4'-P-C4' energy: -115.428 flat angles P-C4'-P energy: -75.129 tors. eta vs tors. theta energy: -159.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1600.440851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.440851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.440851 (E_RNA) where: Base-Base interactions energy: -1091.745 where: short stacking energy: -479.479 Base-Backbone interact. energy: -3.588 local terms energy: -505.107193 where: bonds (distance) C4'-P energy: -94.439 bonds (distance) P-C4' energy: -100.743 flat angles C4'-P-C4' energy: -104.732 flat angles P-C4'-P energy: -73.091 tors. eta vs tors. theta energy: -132.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1484.672585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.672585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.672585 (E_RNA) where: Base-Base interactions energy: -998.905 where: short stacking energy: -441.943 Base-Backbone interact. energy: -2.636 local terms energy: -483.131234 where: bonds (distance) C4'-P energy: -88.698 bonds (distance) P-C4' energy: -92.925 flat angles C4'-P-C4' energy: -96.134 flat angles P-C4'-P energy: -74.215 tors. eta vs tors. theta energy: -131.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -1404.037828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.037828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.037828 (E_RNA) where: Base-Base interactions energy: -943.802 where: short stacking energy: -414.352 Base-Backbone interact. energy: 0.387 local terms energy: -460.622878 where: bonds (distance) C4'-P energy: -85.007 bonds (distance) P-C4' energy: -89.317 flat angles C4'-P-C4' energy: -105.183 flat angles P-C4'-P energy: -62.508 tors. eta vs tors. theta energy: -118.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1324.600785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.600785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.600785 (E_RNA) where: Base-Base interactions energy: -870.359 where: short stacking energy: -382.007 Base-Backbone interact. energy: 0.409 local terms energy: -454.650478 where: bonds (distance) C4'-P energy: -77.183 bonds (distance) P-C4' energy: -95.989 flat angles C4'-P-C4' energy: -100.594 flat angles P-C4'-P energy: -64.740 tors. eta vs tors. theta energy: -116.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1086.305342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.305342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.305342 (E_RNA) where: Base-Base interactions energy: -698.950 where: short stacking energy: -345.121 Base-Backbone interact. energy: -4.041 local terms energy: -383.313802 where: bonds (distance) C4'-P energy: -82.764 bonds (distance) P-C4' energy: -86.916 flat angles C4'-P-C4' energy: -86.820 flat angles P-C4'-P energy: -41.158 tors. eta vs tors. theta energy: -85.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -837.781761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.781761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.781761 (E_RNA) where: Base-Base interactions energy: -502.982 where: short stacking energy: -252.930 Base-Backbone interact. energy: -1.328 local terms energy: -333.471276 where: bonds (distance) C4'-P energy: -82.295 bonds (distance) P-C4' energy: -67.526 flat angles C4'-P-C4' energy: -72.715 flat angles P-C4'-P energy: -49.621 tors. eta vs tors. theta energy: -61.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -856.316978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.316978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.316978 (E_RNA) where: Base-Base interactions energy: -528.320 where: short stacking energy: -270.448 Base-Backbone interact. energy: 0.616 local terms energy: -328.612767 where: bonds (distance) C4'-P energy: -65.553 bonds (distance) P-C4' energy: -75.836 flat angles C4'-P-C4' energy: -85.022 flat angles P-C4'-P energy: -45.333 tors. eta vs tors. theta energy: -56.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -575.417471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.417471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.417471 (E_RNA) where: Base-Base interactions energy: -296.247 where: short stacking energy: -169.883 Base-Backbone interact. energy: -2.640 local terms energy: -276.530483 where: bonds (distance) C4'-P energy: -74.894 bonds (distance) P-C4' energy: -82.918 flat angles C4'-P-C4' energy: -60.863 flat angles P-C4'-P energy: -45.218 tors. eta vs tors. theta energy: -12.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -388.863122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.863122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.863122 (E_RNA) where: Base-Base interactions energy: -151.220 where: short stacking energy: -116.799 Base-Backbone interact. energy: 0.119 local terms energy: -237.762377 where: bonds (distance) C4'-P energy: -77.276 bonds (distance) P-C4' energy: -75.138 flat angles C4'-P-C4' energy: -61.726 flat angles P-C4'-P energy: -49.385 tors. eta vs tors. theta energy: 25.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1684.747908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.747908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.747908 (E_RNA) where: Base-Base interactions energy: -1145.516 where: short stacking energy: -499.519 Base-Backbone interact. energy: -1.113 local terms energy: -538.118880 where: bonds (distance) C4'-P energy: -103.950 bonds (distance) P-C4' energy: -100.243 flat angles C4'-P-C4' energy: -109.567 flat angles P-C4'-P energy: -71.508 tors. eta vs tors. theta energy: -152.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1605.459718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.459718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.459718 (E_RNA) where: Base-Base interactions energy: -1134.609 where: short stacking energy: -481.705 Base-Backbone interact. energy: -3.807 local terms energy: -467.044198 where: bonds (distance) C4'-P energy: -84.989 bonds (distance) P-C4' energy: -80.872 flat angles C4'-P-C4' energy: -104.000 flat angles P-C4'-P energy: -62.233 tors. eta vs tors. theta energy: -134.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1462.458412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.458412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.458412 (E_RNA) where: Base-Base interactions energy: -990.426 where: short stacking energy: -436.009 Base-Backbone interact. energy: -0.330 local terms energy: -471.701710 where: bonds (distance) C4'-P energy: -98.651 bonds (distance) P-C4' energy: -79.103 flat angles C4'-P-C4' energy: -87.752 flat angles P-C4'-P energy: -68.834 tors. eta vs tors. theta energy: -137.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1446.307728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.307728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.307728 (E_RNA) where: Base-Base interactions energy: -972.230 where: short stacking energy: -432.837 Base-Backbone interact. energy: -0.663 local terms energy: -473.415007 where: bonds (distance) C4'-P energy: -87.844 bonds (distance) P-C4' energy: -103.133 flat angles C4'-P-C4' energy: -94.686 flat angles P-C4'-P energy: -63.214 tors. eta vs tors. theta energy: -124.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1292.118709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.118709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.118709 (E_RNA) where: Base-Base interactions energy: -842.839 where: short stacking energy: -365.713 Base-Backbone interact. energy: -0.785 local terms energy: -448.494811 where: bonds (distance) C4'-P energy: -90.314 bonds (distance) P-C4' energy: -81.311 flat angles C4'-P-C4' energy: -105.964 flat angles P-C4'-P energy: -64.317 tors. eta vs tors. theta energy: -106.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1095.772780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.772780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.772780 (E_RNA) where: Base-Base interactions energy: -702.967 where: short stacking energy: -344.883 Base-Backbone interact. energy: -0.523 local terms energy: -392.282706 where: bonds (distance) C4'-P energy: -83.924 bonds (distance) P-C4' energy: -80.218 flat angles C4'-P-C4' energy: -88.861 flat angles P-C4'-P energy: -54.358 tors. eta vs tors. theta energy: -84.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -831.503471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.503471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.503471 (E_RNA) where: Base-Base interactions energy: -485.946 where: short stacking energy: -259.165 Base-Backbone interact. energy: 1.871 local terms energy: -347.429072 where: bonds (distance) C4'-P energy: -69.136 bonds (distance) P-C4' energy: -77.692 flat angles C4'-P-C4' energy: -82.537 flat angles P-C4'-P energy: -54.124 tors. eta vs tors. theta energy: -63.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -782.093088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.093088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.093088 (E_RNA) where: Base-Base interactions energy: -469.711 where: short stacking energy: -240.236 Base-Backbone interact. energy: 0.513 local terms energy: -312.894464 where: bonds (distance) C4'-P energy: -80.566 bonds (distance) P-C4' energy: -81.842 flat angles C4'-P-C4' energy: -59.500 flat angles P-C4'-P energy: -42.718 tors. eta vs tors. theta energy: -48.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -493.107316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.107316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.107316 (E_RNA) where: Base-Base interactions energy: -245.385 where: short stacking energy: -138.661 Base-Backbone interact. energy: -3.542 local terms energy: -244.180147 where: bonds (distance) C4'-P energy: -81.564 bonds (distance) P-C4' energy: -81.943 flat angles C4'-P-C4' energy: -61.718 flat angles P-C4'-P energy: -35.576 tors. eta vs tors. theta energy: 16.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -406.974525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.974525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.974525 (E_RNA) where: Base-Base interactions energy: -144.759 where: short stacking energy: -129.323 Base-Backbone interact. energy: 6.929 local terms energy: -269.144746 where: bonds (distance) C4'-P energy: -63.243 bonds (distance) P-C4' energy: -91.752 flat angles C4'-P-C4' energy: -82.366 flat angles P-C4'-P energy: -36.926 tors. eta vs tors. theta energy: 5.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1694.505068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.505068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.505068 (E_RNA) where: Base-Base interactions energy: -1156.481 where: short stacking energy: -524.457 Base-Backbone interact. energy: -1.817 local terms energy: -536.206784 where: bonds (distance) C4'-P energy: -97.234 bonds (distance) P-C4' energy: -101.783 flat angles C4'-P-C4' energy: -103.980 flat angles P-C4'-P energy: -71.697 tors. eta vs tors. theta energy: -161.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1594.405852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.405852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.405852 (E_RNA) where: Base-Base interactions energy: -1097.775 where: short stacking energy: -471.400 Base-Backbone interact. energy: -3.880 local terms energy: -492.750983 where: bonds (distance) C4'-P energy: -89.815 bonds (distance) P-C4' energy: -87.017 flat angles C4'-P-C4' energy: -104.751 flat angles P-C4'-P energy: -75.839 tors. eta vs tors. theta energy: -135.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1436.131788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.131788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.131788 (E_RNA) where: Base-Base interactions energy: -972.248 where: short stacking energy: -423.652 Base-Backbone interact. energy: -3.875 local terms energy: -460.008803 where: bonds (distance) C4'-P energy: -87.411 bonds (distance) P-C4' energy: -87.763 flat angles C4'-P-C4' energy: -97.452 flat angles P-C4'-P energy: -60.141 tors. eta vs tors. theta energy: -127.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1430.578508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.578508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.578508 (E_RNA) where: Base-Base interactions energy: -988.885 where: short stacking energy: -418.583 Base-Backbone interact. energy: -0.133 local terms energy: -441.560455 where: bonds (distance) C4'-P energy: -91.332 bonds (distance) P-C4' energy: -86.089 flat angles C4'-P-C4' energy: -102.673 flat angles P-C4'-P energy: -51.185 tors. eta vs tors. theta energy: -110.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1349.691789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.691789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.691789 (E_RNA) where: Base-Base interactions energy: -910.929 where: short stacking energy: -408.596 Base-Backbone interact. energy: -2.479 local terms energy: -436.283475 where: bonds (distance) C4'-P energy: -75.599 bonds (distance) P-C4' energy: -83.935 flat angles C4'-P-C4' energy: -96.862 flat angles P-C4'-P energy: -68.967 tors. eta vs tors. theta energy: -110.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1075.144657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.144657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.144657 (E_RNA) where: Base-Base interactions energy: -676.965 where: short stacking energy: -330.912 Base-Backbone interact. energy: -0.943 local terms energy: -397.236635 where: bonds (distance) C4'-P energy: -90.528 bonds (distance) P-C4' energy: -86.503 flat angles C4'-P-C4' energy: -86.790 flat angles P-C4'-P energy: -52.741 tors. eta vs tors. theta energy: -80.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -811.205781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.205781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.205781 (E_RNA) where: Base-Base interactions energy: -478.655 where: short stacking energy: -264.625 Base-Backbone interact. energy: -0.699 local terms energy: -331.851966 where: bonds (distance) C4'-P energy: -75.968 bonds (distance) P-C4' energy: -81.232 flat angles C4'-P-C4' energy: -86.057 flat angles P-C4'-P energy: -44.782 tors. eta vs tors. theta energy: -43.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -820.031883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.031883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.031883 (E_RNA) where: Base-Base interactions energy: -500.865 where: short stacking energy: -219.902 Base-Backbone interact. energy: -0.214 local terms energy: -318.952917 where: bonds (distance) C4'-P energy: -69.242 bonds (distance) P-C4' energy: -87.041 flat angles C4'-P-C4' energy: -86.609 flat angles P-C4'-P energy: -41.739 tors. eta vs tors. theta energy: -34.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -509.629594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.629594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.629594 (E_RNA) where: Base-Base interactions energy: -225.830 where: short stacking energy: -150.932 Base-Backbone interact. energy: -0.711 local terms energy: -283.088544 where: bonds (distance) C4'-P energy: -73.224 bonds (distance) P-C4' energy: -90.988 flat angles C4'-P-C4' energy: -68.283 flat angles P-C4'-P energy: -35.192 tors. eta vs tors. theta energy: -15.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -380.919872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.919872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.919872 (E_RNA) where: Base-Base interactions energy: -148.693 where: short stacking energy: -121.963 Base-Backbone interact. energy: 3.292 local terms energy: -235.518400 where: bonds (distance) C4'-P energy: -74.471 bonds (distance) P-C4' energy: -66.332 flat angles C4'-P-C4' energy: -62.628 flat angles P-C4'-P energy: -44.196 tors. eta vs tors. theta energy: 12.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1687.903560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.903560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.903560 (E_RNA) where: Base-Base interactions energy: -1149.851 where: short stacking energy: -518.139 Base-Backbone interact. energy: -2.654 local terms energy: -535.397933 where: bonds (distance) C4'-P energy: -98.906 bonds (distance) P-C4' energy: -94.229 flat angles C4'-P-C4' energy: -104.754 flat angles P-C4'-P energy: -75.449 tors. eta vs tors. theta energy: -162.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1608.075033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.075033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.075033 (E_RNA) where: Base-Base interactions energy: -1116.595 where: short stacking energy: -493.680 Base-Backbone interact. energy: -0.157 local terms energy: -491.322232 where: bonds (distance) C4'-P energy: -86.875 bonds (distance) P-C4' energy: -84.307 flat angles C4'-P-C4' energy: -105.137 flat angles P-C4'-P energy: -69.273 tors. eta vs tors. theta energy: -145.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1471.896443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.896443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.896443 (E_RNA) where: Base-Base interactions energy: -1007.453 where: short stacking energy: -436.156 Base-Backbone interact. energy: 0.167 local terms energy: -464.610564 where: bonds (distance) C4'-P energy: -74.503 bonds (distance) P-C4' energy: -91.869 flat angles C4'-P-C4' energy: -97.747 flat angles P-C4'-P energy: -71.192 tors. eta vs tors. theta energy: -129.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1394.386739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.386739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.386739 (E_RNA) where: Base-Base interactions energy: -955.756 where: short stacking energy: -412.411 Base-Backbone interact. energy: -4.688 local terms energy: -433.942755 where: bonds (distance) C4'-P energy: -72.154 bonds (distance) P-C4' energy: -89.652 flat angles C4'-P-C4' energy: -89.988 flat angles P-C4'-P energy: -57.333 tors. eta vs tors. theta energy: -124.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1322.200372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.200372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.200372 (E_RNA) where: Base-Base interactions energy: -881.904 where: short stacking energy: -411.479 Base-Backbone interact. energy: -2.041 local terms energy: -438.255126 where: bonds (distance) C4'-P energy: -93.545 bonds (distance) P-C4' energy: -94.997 flat angles C4'-P-C4' energy: -83.627 flat angles P-C4'-P energy: -57.683 tors. eta vs tors. theta energy: -108.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1071.433636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.433636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.433636 (E_RNA) where: Base-Base interactions energy: -683.263 where: short stacking energy: -343.741 Base-Backbone interact. energy: -2.804 local terms energy: -385.367102 where: bonds (distance) C4'-P energy: -89.550 bonds (distance) P-C4' energy: -69.126 flat angles C4'-P-C4' energy: -87.234 flat angles P-C4'-P energy: -50.540 tors. eta vs tors. theta energy: -88.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -863.073344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.073344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.073344 (E_RNA) where: Base-Base interactions energy: -500.215 where: short stacking energy: -256.142 Base-Backbone interact. energy: -1.147 local terms energy: -361.710694 where: bonds (distance) C4'-P energy: -77.641 bonds (distance) P-C4' energy: -97.217 flat angles C4'-P-C4' energy: -85.716 flat angles P-C4'-P energy: -49.617 tors. eta vs tors. theta energy: -51.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -769.212493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.212493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.212493 (E_RNA) where: Base-Base interactions energy: -426.336 where: short stacking energy: -213.061 Base-Backbone interact. energy: -0.244 local terms energy: -342.632390 where: bonds (distance) C4'-P energy: -86.488 bonds (distance) P-C4' energy: -89.331 flat angles C4'-P-C4' energy: -77.246 flat angles P-C4'-P energy: -52.390 tors. eta vs tors. theta energy: -37.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -471.057779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.057779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.057779 (E_RNA) where: Base-Base interactions energy: -222.796 where: short stacking energy: -107.744 Base-Backbone interact. energy: -2.901 local terms energy: -245.360247 where: bonds (distance) C4'-P energy: -71.386 bonds (distance) P-C4' energy: -85.696 flat angles C4'-P-C4' energy: -64.176 flat angles P-C4'-P energy: -40.363 tors. eta vs tors. theta energy: 16.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -393.676910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.676910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.676910 (E_RNA) where: Base-Base interactions energy: -156.814 where: short stacking energy: -127.303 Base-Backbone interact. energy: -3.651 local terms energy: -233.212548 where: bonds (distance) C4'-P energy: -78.391 bonds (distance) P-C4' energy: -74.913 flat angles C4'-P-C4' energy: -59.391 flat angles P-C4'-P energy: -16.754 tors. eta vs tors. theta energy: -3.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1681.877571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.877571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.877571 (E_RNA) where: Base-Base interactions energy: -1152.860 where: short stacking energy: -527.598 Base-Backbone interact. energy: -0.534 local terms energy: -528.483563 where: bonds (distance) C4'-P energy: -92.826 bonds (distance) P-C4' energy: -90.183 flat angles C4'-P-C4' energy: -111.892 flat angles P-C4'-P energy: -75.686 tors. eta vs tors. theta energy: -157.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1574.945744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.945744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.945744 (E_RNA) where: Base-Base interactions energy: -1075.600 where: short stacking energy: -472.914 Base-Backbone interact. energy: -4.903 local terms energy: -494.442548 where: bonds (distance) C4'-P energy: -97.403 bonds (distance) P-C4' energy: -105.364 flat angles C4'-P-C4' energy: -92.470 flat angles P-C4'-P energy: -61.261 tors. eta vs tors. theta energy: -137.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1494.942428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.942428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.942428 (E_RNA) where: Base-Base interactions energy: -1016.682 where: short stacking energy: -434.061 Base-Backbone interact. energy: -1.176 local terms energy: -477.085034 where: bonds (distance) C4'-P energy: -87.958 bonds (distance) P-C4' energy: -93.071 flat angles C4'-P-C4' energy: -104.957 flat angles P-C4'-P energy: -68.539 tors. eta vs tors. theta energy: -122.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1395.136494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.136494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.136494 (E_RNA) where: Base-Base interactions energy: -920.104 where: short stacking energy: -403.515 Base-Backbone interact. energy: -2.818 local terms energy: -472.214906 where: bonds (distance) C4'-P energy: -82.131 bonds (distance) P-C4' energy: -103.496 flat angles C4'-P-C4' energy: -109.765 flat angles P-C4'-P energy: -65.777 tors. eta vs tors. theta energy: -111.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1304.557138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.557138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.557138 (E_RNA) where: Base-Base interactions energy: -860.716 where: short stacking energy: -379.646 Base-Backbone interact. energy: -0.400 local terms energy: -443.440908 where: bonds (distance) C4'-P energy: -83.960 bonds (distance) P-C4' energy: -76.577 flat angles C4'-P-C4' energy: -98.909 flat angles P-C4'-P energy: -66.744 tors. eta vs tors. theta energy: -117.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1060.753822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.753822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.753822 (E_RNA) where: Base-Base interactions energy: -720.736 where: short stacking energy: -334.605 Base-Backbone interact. energy: 1.180 local terms energy: -341.197228 where: bonds (distance) C4'-P energy: -70.429 bonds (distance) P-C4' energy: -79.220 flat angles C4'-P-C4' energy: -82.072 flat angles P-C4'-P energy: -42.134 tors. eta vs tors. theta energy: -67.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -874.572602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.572602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.572602 (E_RNA) where: Base-Base interactions energy: -513.151 where: short stacking energy: -261.983 Base-Backbone interact. energy: 6.799 local terms energy: -368.220734 where: bonds (distance) C4'-P energy: -76.710 bonds (distance) P-C4' energy: -97.916 flat angles C4'-P-C4' energy: -86.784 flat angles P-C4'-P energy: -49.613 tors. eta vs tors. theta energy: -57.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -778.248094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.248094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.248094 (E_RNA) where: Base-Base interactions energy: -442.826 where: short stacking energy: -232.177 Base-Backbone interact. energy: -1.100 local terms energy: -334.322281 where: bonds (distance) C4'-P energy: -90.877 bonds (distance) P-C4' energy: -78.518 flat angles C4'-P-C4' energy: -81.318 flat angles P-C4'-P energy: -44.266 tors. eta vs tors. theta energy: -39.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -492.055033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.055033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.055033 (E_RNA) where: Base-Base interactions energy: -210.196 where: short stacking energy: -144.412 Base-Backbone interact. energy: -2.005 local terms energy: -279.853268 where: bonds (distance) C4'-P energy: -76.304 bonds (distance) P-C4' energy: -83.054 flat angles C4'-P-C4' energy: -80.038 flat angles P-C4'-P energy: -30.589 tors. eta vs tors. theta energy: -9.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -375.118746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.118746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.118746 (E_RNA) where: Base-Base interactions energy: -112.297 where: short stacking energy: -81.328 Base-Backbone interact. energy: 1.263 local terms energy: -264.085217 where: bonds (distance) C4'-P energy: -87.962 bonds (distance) P-C4' energy: -97.426 flat angles C4'-P-C4' energy: -65.650 flat angles P-C4'-P energy: -29.437 tors. eta vs tors. theta energy: 16.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1681.140937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.140937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.140937 (E_RNA) where: Base-Base interactions energy: -1133.306 where: short stacking energy: -518.945 Base-Backbone interact. energy: -0.873 local terms energy: -546.961633 where: bonds (distance) C4'-P energy: -88.602 bonds (distance) P-C4' energy: -92.447 flat angles C4'-P-C4' energy: -119.524 flat angles P-C4'-P energy: -81.057 tors. eta vs tors. theta energy: -165.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1582.867745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.867745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.867745 (E_RNA) where: Base-Base interactions energy: -1083.269 where: short stacking energy: -480.515 Base-Backbone interact. energy: -2.596 local terms energy: -497.002688 where: bonds (distance) C4'-P energy: -78.069 bonds (distance) P-C4' energy: -99.800 flat angles C4'-P-C4' energy: -104.594 flat angles P-C4'-P energy: -76.276 tors. eta vs tors. theta energy: -138.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1515.933336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.933336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.933336 (E_RNA) where: Base-Base interactions energy: -1034.641 where: short stacking energy: -455.870 Base-Backbone interact. energy: -1.053 local terms energy: -480.238730 where: bonds (distance) C4'-P energy: -88.569 bonds (distance) P-C4' energy: -90.847 flat angles C4'-P-C4' energy: -102.533 flat angles P-C4'-P energy: -68.833 tors. eta vs tors. theta energy: -129.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1413.461793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.461793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.461793 (E_RNA) where: Base-Base interactions energy: -949.517 where: short stacking energy: -411.257 Base-Backbone interact. energy: -3.532 local terms energy: -460.412604 where: bonds (distance) C4'-P energy: -91.386 bonds (distance) P-C4' energy: -88.528 flat angles C4'-P-C4' energy: -105.274 flat angles P-C4'-P energy: -57.695 tors. eta vs tors. theta energy: -117.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1326.549660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.549660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.549660 (E_RNA) where: Base-Base interactions energy: -886.136 where: short stacking energy: -376.582 Base-Backbone interact. energy: -2.269 local terms energy: -438.144608 where: bonds (distance) C4'-P energy: -82.225 bonds (distance) P-C4' energy: -85.544 flat angles C4'-P-C4' energy: -103.124 flat angles P-C4'-P energy: -59.457 tors. eta vs tors. theta energy: -107.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1070.696020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.696020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.696020 (E_RNA) where: Base-Base interactions energy: -691.283 where: short stacking energy: -315.629 Base-Backbone interact. energy: 0.885 local terms energy: -380.297439 where: bonds (distance) C4'-P energy: -67.042 bonds (distance) P-C4' energy: -85.619 flat angles C4'-P-C4' energy: -98.051 flat angles P-C4'-P energy: -67.172 tors. eta vs tors. theta energy: -62.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -840.085054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.085054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.085054 (E_RNA) where: Base-Base interactions energy: -484.744 where: short stacking energy: -253.226 Base-Backbone interact. energy: -1.828 local terms energy: -353.512771 where: bonds (distance) C4'-P energy: -90.593 bonds (distance) P-C4' energy: -83.942 flat angles C4'-P-C4' energy: -72.574 flat angles P-C4'-P energy: -59.618 tors. eta vs tors. theta energy: -46.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -755.616613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.616613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.616613 (E_RNA) where: Base-Base interactions energy: -437.295 where: short stacking energy: -237.263 Base-Backbone interact. energy: -2.639 local terms energy: -315.682231 where: bonds (distance) C4'-P energy: -73.869 bonds (distance) P-C4' energy: -91.505 flat angles C4'-P-C4' energy: -71.992 flat angles P-C4'-P energy: -38.029 tors. eta vs tors. theta energy: -40.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -501.330421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.330421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.330421 (E_RNA) where: Base-Base interactions energy: -226.189 where: short stacking energy: -160.211 Base-Backbone interact. energy: 0.169 local terms energy: -275.309946 where: bonds (distance) C4'-P energy: -78.628 bonds (distance) P-C4' energy: -86.081 flat angles C4'-P-C4' energy: -73.220 flat angles P-C4'-P energy: -31.390 tors. eta vs tors. theta energy: -5.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -488.424510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.424510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.424510 (E_RNA) where: Base-Base interactions energy: -230.631 where: short stacking energy: -160.147 Base-Backbone interact. energy: -0.491 local terms energy: -257.302468 where: bonds (distance) C4'-P energy: -58.812 bonds (distance) P-C4' energy: -77.844 flat angles C4'-P-C4' energy: -55.543 flat angles P-C4'-P energy: -45.781 tors. eta vs tors. theta energy: -19.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1658.978494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.978494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.978494 (E_RNA) where: Base-Base interactions energy: -1149.267 where: short stacking energy: -521.360 Base-Backbone interact. energy: -2.298 local terms energy: -507.413211 where: bonds (distance) C4'-P energy: -80.855 bonds (distance) P-C4' energy: -74.250 flat angles C4'-P-C4' energy: -111.174 flat angles P-C4'-P energy: -73.565 tors. eta vs tors. theta energy: -167.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1595.183610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.183610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.183610 (E_RNA) where: Base-Base interactions energy: -1085.555 where: short stacking energy: -465.527 Base-Backbone interact. energy: -3.253 local terms energy: -506.375427 where: bonds (distance) C4'-P energy: -93.066 bonds (distance) P-C4' energy: -99.370 flat angles C4'-P-C4' energy: -97.747 flat angles P-C4'-P energy: -75.962 tors. eta vs tors. theta energy: -140.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1482.153876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.153876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.153876 (E_RNA) where: Base-Base interactions energy: -1007.806 where: short stacking energy: -434.577 Base-Backbone interact. energy: -5.910 local terms energy: -468.438182 where: bonds (distance) C4'-P energy: -79.094 bonds (distance) P-C4' energy: -96.145 flat angles C4'-P-C4' energy: -97.726 flat angles P-C4'-P energy: -65.825 tors. eta vs tors. theta energy: -129.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1457.474846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.474846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.474846 (E_RNA) where: Base-Base interactions energy: -1002.646 where: short stacking energy: -441.109 Base-Backbone interact. energy: -0.011 local terms energy: -454.818427 where: bonds (distance) C4'-P energy: -73.521 bonds (distance) P-C4' energy: -88.783 flat angles C4'-P-C4' energy: -97.487 flat angles P-C4'-P energy: -65.883 tors. eta vs tors. theta energy: -129.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1324.230202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.230202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.230202 (E_RNA) where: Base-Base interactions energy: -887.237 where: short stacking energy: -405.983 Base-Backbone interact. energy: -1.943 local terms energy: -435.050329 where: bonds (distance) C4'-P energy: -82.870 bonds (distance) P-C4' energy: -77.812 flat angles C4'-P-C4' energy: -96.567 flat angles P-C4'-P energy: -60.511 tors. eta vs tors. theta energy: -117.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1103.977909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.977909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.977909 (E_RNA) where: Base-Base interactions energy: -702.232 where: short stacking energy: -330.637 Base-Backbone interact. energy: -0.517 local terms energy: -401.229511 where: bonds (distance) C4'-P energy: -82.161 bonds (distance) P-C4' energy: -82.602 flat angles C4'-P-C4' energy: -83.124 flat angles P-C4'-P energy: -66.408 tors. eta vs tors. theta energy: -86.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -869.357842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.357842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.357842 (E_RNA) where: Base-Base interactions energy: -506.382 where: short stacking energy: -266.650 Base-Backbone interact. energy: 0.172 local terms energy: -363.148410 where: bonds (distance) C4'-P energy: -66.577 bonds (distance) P-C4' energy: -92.451 flat angles C4'-P-C4' energy: -85.798 flat angles P-C4'-P energy: -58.486 tors. eta vs tors. theta energy: -59.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -755.299429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.299429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.299429 (E_RNA) where: Base-Base interactions energy: -433.139 where: short stacking energy: -228.809 Base-Backbone interact. energy: -0.345 local terms energy: -321.816045 where: bonds (distance) C4'-P energy: -86.039 bonds (distance) P-C4' energy: -89.374 flat angles C4'-P-C4' energy: -75.623 flat angles P-C4'-P energy: -42.519 tors. eta vs tors. theta energy: -28.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -514.899188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.899188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.899188 (E_RNA) where: Base-Base interactions energy: -225.771 where: short stacking energy: -146.020 Base-Backbone interact. energy: -0.861 local terms energy: -288.267472 where: bonds (distance) C4'-P energy: -76.886 bonds (distance) P-C4' energy: -86.660 flat angles C4'-P-C4' energy: -82.973 flat angles P-C4'-P energy: -37.253 tors. eta vs tors. theta energy: -4.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -439.679230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.679230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.679230 (E_RNA) where: Base-Base interactions energy: -173.873 where: short stacking energy: -117.376 Base-Backbone interact. energy: -0.181 local terms energy: -265.624903 where: bonds (distance) C4'-P energy: -82.237 bonds (distance) P-C4' energy: -81.461 flat angles C4'-P-C4' energy: -65.528 flat angles P-C4'-P energy: -43.156 tors. eta vs tors. theta energy: 6.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1672.447248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.447248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.447248 (E_RNA) where: Base-Base interactions energy: -1147.114 where: short stacking energy: -504.773 Base-Backbone interact. energy: -1.417 local terms energy: -523.916358 where: bonds (distance) C4'-P energy: -92.296 bonds (distance) P-C4' energy: -88.368 flat angles C4'-P-C4' energy: -107.621 flat angles P-C4'-P energy: -74.141 tors. eta vs tors. theta energy: -161.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1602.655659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.655659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.655659 (E_RNA) where: Base-Base interactions energy: -1119.208 where: short stacking energy: -487.891 Base-Backbone interact. energy: 0.152 local terms energy: -483.599461 where: bonds (distance) C4'-P energy: -89.019 bonds (distance) P-C4' energy: -83.497 flat angles C4'-P-C4' energy: -102.361 flat angles P-C4'-P energy: -71.906 tors. eta vs tors. theta energy: -136.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1472.527526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.527526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.527526 (E_RNA) where: Base-Base interactions energy: -994.642 where: short stacking energy: -427.427 Base-Backbone interact. energy: -6.652 local terms energy: -471.232921 where: bonds (distance) C4'-P energy: -86.181 bonds (distance) P-C4' energy: -92.424 flat angles C4'-P-C4' energy: -101.449 flat angles P-C4'-P energy: -65.490 tors. eta vs tors. theta energy: -125.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1442.049488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.049488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.049488 (E_RNA) where: Base-Base interactions energy: -987.362 where: short stacking energy: -447.503 Base-Backbone interact. energy: -0.864 local terms energy: -453.823641 where: bonds (distance) C4'-P energy: -90.281 bonds (distance) P-C4' energy: -72.474 flat angles C4'-P-C4' energy: -98.874 flat angles P-C4'-P energy: -60.198 tors. eta vs tors. theta energy: -131.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1301.556407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.556407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.556407 (E_RNA) where: Base-Base interactions energy: -869.757 where: short stacking energy: -383.236 Base-Backbone interact. energy: -2.510 local terms energy: -429.289508 where: bonds (distance) C4'-P energy: -89.846 bonds (distance) P-C4' energy: -78.678 flat angles C4'-P-C4' energy: -93.265 flat angles P-C4'-P energy: -62.189 tors. eta vs tors. theta energy: -105.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1092.277927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.277927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.277927 (E_RNA) where: Base-Base interactions energy: -707.270 where: short stacking energy: -315.369 Base-Backbone interact. energy: -1.116 local terms energy: -383.892103 where: bonds (distance) C4'-P energy: -87.393 bonds (distance) P-C4' energy: -76.470 flat angles C4'-P-C4' energy: -84.436 flat angles P-C4'-P energy: -55.332 tors. eta vs tors. theta energy: -80.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -789.049780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.049780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.049780 (E_RNA) where: Base-Base interactions energy: -447.851 where: short stacking energy: -244.305 Base-Backbone interact. energy: -0.386 local terms energy: -340.812768 where: bonds (distance) C4'-P energy: -81.031 bonds (distance) P-C4' energy: -84.933 flat angles C4'-P-C4' energy: -72.572 flat angles P-C4'-P energy: -59.115 tors. eta vs tors. theta energy: -43.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -758.679821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.679821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.679821 (E_RNA) where: Base-Base interactions energy: -443.682 where: short stacking energy: -218.641 Base-Backbone interact. energy: -1.392 local terms energy: -313.605507 where: bonds (distance) C4'-P energy: -87.665 bonds (distance) P-C4' energy: -78.048 flat angles C4'-P-C4' energy: -70.978 flat angles P-C4'-P energy: -56.328 tors. eta vs tors. theta energy: -20.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -495.225709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.225709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.225709 (E_RNA) where: Base-Base interactions energy: -235.187 where: short stacking energy: -146.614 Base-Backbone interact. energy: -0.181 local terms energy: -259.858270 where: bonds (distance) C4'-P energy: -87.806 bonds (distance) P-C4' energy: -75.545 flat angles C4'-P-C4' energy: -65.089 flat angles P-C4'-P energy: -26.254 tors. eta vs tors. theta energy: -5.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -439.473894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.473894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.473894 (E_RNA) where: Base-Base interactions energy: -189.648 where: short stacking energy: -132.839 Base-Backbone interact. energy: 0.048 local terms energy: -249.873481 where: bonds (distance) C4'-P energy: -67.223 bonds (distance) P-C4' energy: -81.888 flat angles C4'-P-C4' energy: -66.719 flat angles P-C4'-P energy: -37.386 tors. eta vs tors. theta energy: 3.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1693.401419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.401419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.401419 (E_RNA) where: Base-Base interactions energy: -1146.450 where: short stacking energy: -496.672 Base-Backbone interact. energy: -0.729 local terms energy: -546.222633 where: bonds (distance) C4'-P energy: -93.830 bonds (distance) P-C4' energy: -100.731 flat angles C4'-P-C4' energy: -115.413 flat angles P-C4'-P energy: -79.720 tors. eta vs tors. theta energy: -156.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1598.656193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.656193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.656193 (E_RNA) where: Base-Base interactions energy: -1086.934 where: short stacking energy: -478.497 Base-Backbone interact. energy: -3.328 local terms energy: -508.393908 where: bonds (distance) C4'-P energy: -99.621 bonds (distance) P-C4' energy: -94.412 flat angles C4'-P-C4' energy: -109.000 flat angles P-C4'-P energy: -64.875 tors. eta vs tors. theta energy: -140.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1470.165197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.165197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.165197 (E_RNA) where: Base-Base interactions energy: -999.920 where: short stacking energy: -434.413 Base-Backbone interact. energy: -0.021 local terms energy: -470.224894 where: bonds (distance) C4'-P energy: -91.741 bonds (distance) P-C4' energy: -84.054 flat angles C4'-P-C4' energy: -106.298 flat angles P-C4'-P energy: -62.108 tors. eta vs tors. theta energy: -126.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1472.907988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.907988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.907988 (E_RNA) where: Base-Base interactions energy: -1001.418 where: short stacking energy: -445.195 Base-Backbone interact. energy: -0.952 local terms energy: -470.538155 where: bonds (distance) C4'-P energy: -73.980 bonds (distance) P-C4' energy: -96.663 flat angles C4'-P-C4' energy: -109.891 flat angles P-C4'-P energy: -65.519 tors. eta vs tors. theta energy: -124.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1269.033167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.033167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.033167 (E_RNA) where: Base-Base interactions energy: -841.038 where: short stacking energy: -391.758 Base-Backbone interact. energy: -2.578 local terms energy: -425.417925 where: bonds (distance) C4'-P energy: -81.378 bonds (distance) P-C4' energy: -93.322 flat angles C4'-P-C4' energy: -83.251 flat angles P-C4'-P energy: -63.865 tors. eta vs tors. theta energy: -103.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1034.271183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.271183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.271183 (E_RNA) where: Base-Base interactions energy: -662.276 where: short stacking energy: -330.631 Base-Backbone interact. energy: 1.192 local terms energy: -373.187228 where: bonds (distance) C4'-P energy: -70.167 bonds (distance) P-C4' energy: -80.828 flat angles C4'-P-C4' energy: -90.930 flat angles P-C4'-P energy: -47.647 tors. eta vs tors. theta energy: -83.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -805.176473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.176473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.176473 (E_RNA) where: Base-Base interactions energy: -462.964 where: short stacking energy: -233.220 Base-Backbone interact. energy: 1.199 local terms energy: -343.412252 where: bonds (distance) C4'-P energy: -84.752 bonds (distance) P-C4' energy: -75.119 flat angles C4'-P-C4' energy: -84.324 flat angles P-C4'-P energy: -60.196 tors. eta vs tors. theta energy: -39.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -770.173498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.173498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.173498 (E_RNA) where: Base-Base interactions energy: -445.714 where: short stacking energy: -216.247 Base-Backbone interact. energy: 1.853 local terms energy: -326.312730 where: bonds (distance) C4'-P energy: -97.578 bonds (distance) P-C4' energy: -81.235 flat angles C4'-P-C4' energy: -78.070 flat angles P-C4'-P energy: -43.776 tors. eta vs tors. theta energy: -25.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -493.611681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.611681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.611681 (E_RNA) where: Base-Base interactions energy: -219.231 where: short stacking energy: -159.491 Base-Backbone interact. energy: 0.725 local terms energy: -275.105983 where: bonds (distance) C4'-P energy: -66.321 bonds (distance) P-C4' energy: -72.812 flat angles C4'-P-C4' energy: -84.834 flat angles P-C4'-P energy: -40.024 tors. eta vs tors. theta energy: -11.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -471.145031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.145031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.145031 (E_RNA) where: Base-Base interactions energy: -216.634 where: short stacking energy: -135.126 Base-Backbone interact. energy: -1.419 local terms energy: -253.092595 where: bonds (distance) C4'-P energy: -76.086 bonds (distance) P-C4' energy: -64.123 flat angles C4'-P-C4' energy: -70.685 flat angles P-C4'-P energy: -44.886 tors. eta vs tors. theta energy: 2.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1700.880830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.880830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.880830 (E_RNA) where: Base-Base interactions energy: -1152.496 where: short stacking energy: -526.422 Base-Backbone interact. energy: -1.173 local terms energy: -547.211460 where: bonds (distance) C4'-P energy: -100.965 bonds (distance) P-C4' energy: -91.418 flat angles C4'-P-C4' energy: -108.946 flat angles P-C4'-P energy: -77.831 tors. eta vs tors. theta energy: -168.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1566.763370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.763370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.763370 (E_RNA) where: Base-Base interactions energy: -1078.810 where: short stacking energy: -487.573 Base-Backbone interact. energy: -4.780 local terms energy: -483.173159 where: bonds (distance) C4'-P energy: -93.754 bonds (distance) P-C4' energy: -85.193 flat angles C4'-P-C4' energy: -99.579 flat angles P-C4'-P energy: -67.854 tors. eta vs tors. theta energy: -136.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1464.108893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.108893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.108893 (E_RNA) where: Base-Base interactions energy: -1004.864 where: short stacking energy: -456.143 Base-Backbone interact. energy: -3.075 local terms energy: -456.169621 where: bonds (distance) C4'-P energy: -88.692 bonds (distance) P-C4' energy: -81.722 flat angles C4'-P-C4' energy: -96.187 flat angles P-C4'-P energy: -65.519 tors. eta vs tors. theta energy: -124.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1448.066965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.066965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.066965 (E_RNA) where: Base-Base interactions energy: -963.470 where: short stacking energy: -424.097 Base-Backbone interact. energy: -3.985 local terms energy: -480.611593 where: bonds (distance) C4'-P energy: -91.126 bonds (distance) P-C4' energy: -99.673 flat angles C4'-P-C4' energy: -105.294 flat angles P-C4'-P energy: -65.285 tors. eta vs tors. theta energy: -119.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1308.792117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.792117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.792117 (E_RNA) where: Base-Base interactions energy: -887.834 where: short stacking energy: -405.288 Base-Backbone interact. energy: -1.234 local terms energy: -419.724359 where: bonds (distance) C4'-P energy: -65.430 bonds (distance) P-C4' energy: -89.648 flat angles C4'-P-C4' energy: -90.904 flat angles P-C4'-P energy: -64.613 tors. eta vs tors. theta energy: -109.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1002.532523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.532523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.532523 (E_RNA) where: Base-Base interactions energy: -620.005 where: short stacking energy: -317.275 Base-Backbone interact. energy: -3.932 local terms energy: -378.595871 where: bonds (distance) C4'-P energy: -75.936 bonds (distance) P-C4' energy: -75.394 flat angles C4'-P-C4' energy: -91.848 flat angles P-C4'-P energy: -64.979 tors. eta vs tors. theta energy: -70.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -922.705804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.705804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.705804 (E_RNA) where: Base-Base interactions energy: -570.550 where: short stacking energy: -277.446 Base-Backbone interact. energy: 3.772 local terms energy: -355.927786 where: bonds (distance) C4'-P energy: -89.595 bonds (distance) P-C4' energy: -85.907 flat angles C4'-P-C4' energy: -80.261 flat angles P-C4'-P energy: -43.302 tors. eta vs tors. theta energy: -56.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -806.746259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.746259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.746259 (E_RNA) where: Base-Base interactions energy: -468.738 where: short stacking energy: -230.941 Base-Backbone interact. energy: -2.351 local terms energy: -335.657392 where: bonds (distance) C4'-P energy: -74.205 bonds (distance) P-C4' energy: -89.876 flat angles C4'-P-C4' energy: -84.247 flat angles P-C4'-P energy: -50.859 tors. eta vs tors. theta energy: -36.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -540.620945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.620945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.620945 (E_RNA) where: Base-Base interactions energy: -288.114 where: short stacking energy: -137.887 Base-Backbone interact. energy: 0.125 local terms energy: -252.631763 where: bonds (distance) C4'-P energy: -81.140 bonds (distance) P-C4' energy: -74.975 flat angles C4'-P-C4' energy: -63.876 flat angles P-C4'-P energy: -34.296 tors. eta vs tors. theta energy: 1.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -448.226603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.226603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.226603 (E_RNA) where: Base-Base interactions energy: -181.765 where: short stacking energy: -128.070 Base-Backbone interact. energy: -1.185 local terms energy: -265.276627 where: bonds (distance) C4'-P energy: -88.397 bonds (distance) P-C4' energy: -69.271 flat angles C4'-P-C4' energy: -64.522 flat angles P-C4'-P energy: -27.955 tors. eta vs tors. theta energy: -15.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1670.977045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.977045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.977045 (E_RNA) where: Base-Base interactions energy: -1158.879 where: short stacking energy: -510.656 Base-Backbone interact. energy: 0.119 local terms energy: -512.217196 where: bonds (distance) C4'-P energy: -86.954 bonds (distance) P-C4' energy: -98.216 flat angles C4'-P-C4' energy: -100.896 flat angles P-C4'-P energy: -67.521 tors. eta vs tors. theta energy: -158.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1654.204276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.204276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.204276 (E_RNA) where: Base-Base interactions energy: -1136.055 where: short stacking energy: -511.586 Base-Backbone interact. energy: -1.822 local terms energy: -516.326950 where: bonds (distance) C4'-P energy: -93.763 bonds (distance) P-C4' energy: -95.188 flat angles C4'-P-C4' energy: -106.494 flat angles P-C4'-P energy: -70.480 tors. eta vs tors. theta energy: -150.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1444.267500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.267500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.267500 (E_RNA) where: Base-Base interactions energy: -986.787 where: short stacking energy: -450.261 Base-Backbone interact. energy: -2.122 local terms energy: -455.358388 where: bonds (distance) C4'-P energy: -87.854 bonds (distance) P-C4' energy: -81.121 flat angles C4'-P-C4' energy: -93.471 flat angles P-C4'-P energy: -63.153 tors. eta vs tors. theta energy: -129.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1439.313397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.313397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.313397 (E_RNA) where: Base-Base interactions energy: -988.589 where: short stacking energy: -441.232 Base-Backbone interact. energy: -0.456 local terms energy: -450.268502 where: bonds (distance) C4'-P energy: -88.998 bonds (distance) P-C4' energy: -86.242 flat angles C4'-P-C4' energy: -101.083 flat angles P-C4'-P energy: -56.791 tors. eta vs tors. theta energy: -117.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1291.937203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.937203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.937203 (E_RNA) where: Base-Base interactions energy: -858.766 where: short stacking energy: -387.112 Base-Backbone interact. energy: -2.447 local terms energy: -430.723776 where: bonds (distance) C4'-P energy: -81.043 bonds (distance) P-C4' energy: -89.787 flat angles C4'-P-C4' energy: -88.402 flat angles P-C4'-P energy: -65.221 tors. eta vs tors. theta energy: -106.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -997.674333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.674333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.674333 (E_RNA) where: Base-Base interactions energy: -624.464 where: short stacking energy: -302.512 Base-Backbone interact. energy: -2.506 local terms energy: -370.704152 where: bonds (distance) C4'-P energy: -86.057 bonds (distance) P-C4' energy: -85.229 flat angles C4'-P-C4' energy: -80.706 flat angles P-C4'-P energy: -55.415 tors. eta vs tors. theta energy: -63.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -900.896566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.896566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.896566 (E_RNA) where: Base-Base interactions energy: -563.913 where: short stacking energy: -275.370 Base-Backbone interact. energy: -2.250 local terms energy: -334.733333 where: bonds (distance) C4'-P energy: -74.554 bonds (distance) P-C4' energy: -91.167 flat angles C4'-P-C4' energy: -76.068 flat angles P-C4'-P energy: -26.012 tors. eta vs tors. theta energy: -66.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -796.781725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.781725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.781725 (E_RNA) where: Base-Base interactions energy: -460.886 where: short stacking energy: -240.387 Base-Backbone interact. energy: 0.667 local terms energy: -336.562227 where: bonds (distance) C4'-P energy: -87.093 bonds (distance) P-C4' energy: -76.107 flat angles C4'-P-C4' energy: -82.247 flat angles P-C4'-P energy: -51.249 tors. eta vs tors. theta energy: -39.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -462.164611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.164611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.164611 (E_RNA) where: Base-Base interactions energy: -200.533 where: short stacking energy: -120.281 Base-Backbone interact. energy: -2.289 local terms energy: -259.343227 where: bonds (distance) C4'-P energy: -86.265 bonds (distance) P-C4' energy: -85.155 flat angles C4'-P-C4' energy: -61.601 flat angles P-C4'-P energy: -39.649 tors. eta vs tors. theta energy: 13.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -407.521756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.521756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.521756 (E_RNA) where: Base-Base interactions energy: -163.153 where: short stacking energy: -117.070 Base-Backbone interact. energy: 3.090 local terms energy: -247.459053 where: bonds (distance) C4'-P energy: -87.938 bonds (distance) P-C4' energy: -59.162 flat angles C4'-P-C4' energy: -80.116 flat angles P-C4'-P energy: -34.391 tors. eta vs tors. theta energy: 14.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1665.351070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.351070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.351070 (E_RNA) where: Base-Base interactions energy: -1141.519 where: short stacking energy: -500.748 Base-Backbone interact. energy: 0.110 local terms energy: -523.942125 where: bonds (distance) C4'-P energy: -97.529 bonds (distance) P-C4' energy: -93.586 flat angles C4'-P-C4' energy: -101.079 flat angles P-C4'-P energy: -80.622 tors. eta vs tors. theta energy: -151.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1585.839423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.839423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.839423 (E_RNA) where: Base-Base interactions energy: -1079.478 where: short stacking energy: -454.473 Base-Backbone interact. energy: -4.598 local terms energy: -501.763410 where: bonds (distance) C4'-P energy: -95.833 bonds (distance) P-C4' energy: -93.432 flat angles C4'-P-C4' energy: -97.363 flat angles P-C4'-P energy: -73.719 tors. eta vs tors. theta energy: -141.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1428.555535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.555535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.555535 (E_RNA) where: Base-Base interactions energy: -961.427 where: short stacking energy: -422.069 Base-Backbone interact. energy: 0.753 local terms energy: -467.881387 where: bonds (distance) C4'-P energy: -76.661 bonds (distance) P-C4' energy: -86.056 flat angles C4'-P-C4' energy: -111.941 flat angles P-C4'-P energy: -64.656 tors. eta vs tors. theta energy: -128.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1447.230179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.230179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.230179 (E_RNA) where: Base-Base interactions energy: -955.212 where: short stacking energy: -423.367 Base-Backbone interact. energy: -3.319 local terms energy: -488.699624 where: bonds (distance) C4'-P energy: -88.349 bonds (distance) P-C4' energy: -94.707 flat angles C4'-P-C4' energy: -100.841 flat angles P-C4'-P energy: -76.113 tors. eta vs tors. theta energy: -128.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1292.536921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.536921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.536921 (E_RNA) where: Base-Base interactions energy: -870.609 where: short stacking energy: -375.955 Base-Backbone interact. energy: 0.307 local terms energy: -422.235256 where: bonds (distance) C4'-P energy: -82.623 bonds (distance) P-C4' energy: -80.315 flat angles C4'-P-C4' energy: -102.483 flat angles P-C4'-P energy: -51.177 tors. eta vs tors. theta energy: -105.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1010.198033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.198033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.198033 (E_RNA) where: Base-Base interactions energy: -612.039 where: short stacking energy: -287.851 Base-Backbone interact. energy: -3.167 local terms energy: -394.992531 where: bonds (distance) C4'-P energy: -88.247 bonds (distance) P-C4' energy: -90.878 flat angles C4'-P-C4' energy: -87.460 flat angles P-C4'-P energy: -68.667 tors. eta vs tors. theta energy: -59.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -888.914302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.914302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.914302 (E_RNA) where: Base-Base interactions energy: -522.668 where: short stacking energy: -249.967 Base-Backbone interact. energy: 2.557 local terms energy: -368.803506 where: bonds (distance) C4'-P energy: -94.308 bonds (distance) P-C4' energy: -93.445 flat angles C4'-P-C4' energy: -81.154 flat angles P-C4'-P energy: -47.425 tors. eta vs tors. theta energy: -52.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -859.441505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.441505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.441505 (E_RNA) where: Base-Base interactions energy: -525.647 where: short stacking energy: -259.807 Base-Backbone interact. energy: -0.689 local terms energy: -333.105784 where: bonds (distance) C4'-P energy: -75.703 bonds (distance) P-C4' energy: -92.845 flat angles C4'-P-C4' energy: -67.029 flat angles P-C4'-P energy: -53.002 tors. eta vs tors. theta energy: -44.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -490.238714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.238714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.238714 (E_RNA) where: Base-Base interactions energy: -243.834 where: short stacking energy: -127.562 Base-Backbone interact. energy: -0.203 local terms energy: -246.201313 where: bonds (distance) C4'-P energy: -72.088 bonds (distance) P-C4' energy: -77.724 flat angles C4'-P-C4' energy: -50.028 flat angles P-C4'-P energy: -44.846 tors. eta vs tors. theta energy: -1.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -401.041090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.041090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.041090 (E_RNA) where: Base-Base interactions energy: -155.195 where: short stacking energy: -143.252 Base-Backbone interact. energy: 1.179 local terms energy: -247.025123 where: bonds (distance) C4'-P energy: -66.456 bonds (distance) P-C4' energy: -78.186 flat angles C4'-P-C4' energy: -78.945 flat angles P-C4'-P energy: -28.281 tors. eta vs tors. theta energy: 4.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1684.901745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.901745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.901745 (E_RNA) where: Base-Base interactions energy: -1152.574 where: short stacking energy: -497.767 Base-Backbone interact. energy: -0.837 local terms energy: -531.491273 where: bonds (distance) C4'-P energy: -89.399 bonds (distance) P-C4' energy: -99.188 flat angles C4'-P-C4' energy: -113.373 flat angles P-C4'-P energy: -74.152 tors. eta vs tors. theta energy: -155.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1570.560687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.560687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.560687 (E_RNA) where: Base-Base interactions energy: -1084.049 where: short stacking energy: -468.404 Base-Backbone interact. energy: -2.670 local terms energy: -483.841251 where: bonds (distance) C4'-P energy: -87.077 bonds (distance) P-C4' energy: -90.610 flat angles C4'-P-C4' energy: -99.382 flat angles P-C4'-P energy: -68.807 tors. eta vs tors. theta energy: -137.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1472.419251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.419251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.419251 (E_RNA) where: Base-Base interactions energy: -1004.213 where: short stacking energy: -470.279 Base-Backbone interact. energy: -2.230 local terms energy: -465.975841 where: bonds (distance) C4'-P energy: -90.144 bonds (distance) P-C4' energy: -105.000 flat angles C4'-P-C4' energy: -98.768 flat angles P-C4'-P energy: -38.976 tors. eta vs tors. theta energy: -133.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1420.103489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.103489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.103489 (E_RNA) where: Base-Base interactions energy: -947.554 where: short stacking energy: -423.787 Base-Backbone interact. energy: 0.479 local terms energy: -473.027914 where: bonds (distance) C4'-P energy: -89.973 bonds (distance) P-C4' energy: -90.429 flat angles C4'-P-C4' energy: -102.844 flat angles P-C4'-P energy: -63.944 tors. eta vs tors. theta energy: -125.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1335.406614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.406614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.406614 (E_RNA) where: Base-Base interactions energy: -891.643 where: short stacking energy: -391.012 Base-Backbone interact. energy: -3.161 local terms energy: -440.602411 where: bonds (distance) C4'-P energy: -84.347 bonds (distance) P-C4' energy: -86.789 flat angles C4'-P-C4' energy: -93.846 flat angles P-C4'-P energy: -75.575 tors. eta vs tors. theta energy: -100.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -940.125458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.125458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.125458 (E_RNA) where: Base-Base interactions energy: -571.700 where: short stacking energy: -312.175 Base-Backbone interact. energy: 1.624 local terms energy: -370.049725 where: bonds (distance) C4'-P energy: -82.283 bonds (distance) P-C4' energy: -88.013 flat angles C4'-P-C4' energy: -85.500 flat angles P-C4'-P energy: -45.348 tors. eta vs tors. theta energy: -68.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -841.688806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.688806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.688806 (E_RNA) where: Base-Base interactions energy: -476.583 where: short stacking energy: -262.979 Base-Backbone interact. energy: 0.938 local terms energy: -366.043157 where: bonds (distance) C4'-P energy: -66.538 bonds (distance) P-C4' energy: -94.596 flat angles C4'-P-C4' energy: -87.741 flat angles P-C4'-P energy: -52.872 tors. eta vs tors. theta energy: -64.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -872.644188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.644188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.644188 (E_RNA) where: Base-Base interactions energy: -550.118 where: short stacking energy: -261.406 Base-Backbone interact. energy: 2.204 local terms energy: -324.730276 where: bonds (distance) C4'-P energy: -72.095 bonds (distance) P-C4' energy: -75.628 flat angles C4'-P-C4' energy: -73.132 flat angles P-C4'-P energy: -50.168 tors. eta vs tors. theta energy: -53.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -458.016088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.016088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.016088 (E_RNA) where: Base-Base interactions energy: -201.077 where: short stacking energy: -125.050 Base-Backbone interact. energy: -0.574 local terms energy: -256.364495 where: bonds (distance) C4'-P energy: -84.111 bonds (distance) P-C4' energy: -68.535 flat angles C4'-P-C4' energy: -67.165 flat angles P-C4'-P energy: -40.729 tors. eta vs tors. theta energy: 4.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -367.169535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.169535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.169535 (E_RNA) where: Base-Base interactions energy: -147.080 where: short stacking energy: -121.350 Base-Backbone interact. energy: 0.677 local terms energy: -220.766785 where: bonds (distance) C4'-P energy: -63.021 bonds (distance) P-C4' energy: -81.622 flat angles C4'-P-C4' energy: -58.392 flat angles P-C4'-P energy: -35.152 tors. eta vs tors. theta energy: 17.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1683.040728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.040728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.040728 (E_RNA) where: Base-Base interactions energy: -1147.374 where: short stacking energy: -502.048 Base-Backbone interact. energy: 0.895 local terms energy: -536.561731 where: bonds (distance) C4'-P energy: -89.300 bonds (distance) P-C4' energy: -99.863 flat angles C4'-P-C4' energy: -112.572 flat angles P-C4'-P energy: -75.410 tors. eta vs tors. theta energy: -159.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1582.141411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.141411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.141411 (E_RNA) where: Base-Base interactions energy: -1075.027 where: short stacking energy: -458.269 Base-Backbone interact. energy: 2.074 local terms energy: -509.188177 where: bonds (distance) C4'-P energy: -95.814 bonds (distance) P-C4' energy: -96.372 flat angles C4'-P-C4' energy: -112.711 flat angles P-C4'-P energy: -68.835 tors. eta vs tors. theta energy: -135.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1464.316805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.316805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.316805 (E_RNA) where: Base-Base interactions energy: -985.689 where: short stacking energy: -430.676 Base-Backbone interact. energy: -1.284 local terms energy: -477.344255 where: bonds (distance) C4'-P energy: -91.438 bonds (distance) P-C4' energy: -91.983 flat angles C4'-P-C4' energy: -103.153 flat angles P-C4'-P energy: -69.624 tors. eta vs tors. theta energy: -121.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1434.842237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.842237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.842237 (E_RNA) where: Base-Base interactions energy: -968.547 where: short stacking energy: -437.140 Base-Backbone interact. energy: -2.586 local terms energy: -463.709539 where: bonds (distance) C4'-P energy: -91.702 bonds (distance) P-C4' energy: -84.534 flat angles C4'-P-C4' energy: -106.208 flat angles P-C4'-P energy: -64.934 tors. eta vs tors. theta energy: -116.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1327.121560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.121560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.121560 (E_RNA) where: Base-Base interactions energy: -888.719 where: short stacking energy: -388.685 Base-Backbone interact. energy: -0.072 local terms energy: -438.330105 where: bonds (distance) C4'-P energy: -79.724 bonds (distance) P-C4' energy: -101.109 flat angles C4'-P-C4' energy: -88.883 flat angles P-C4'-P energy: -54.318 tors. eta vs tors. theta energy: -114.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -974.230289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.230289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.230289 (E_RNA) where: Base-Base interactions energy: -606.752 where: short stacking energy: -304.144 Base-Backbone interact. energy: -1.938 local terms energy: -365.540176 where: bonds (distance) C4'-P energy: -80.739 bonds (distance) P-C4' energy: -87.745 flat angles C4'-P-C4' energy: -81.548 flat angles P-C4'-P energy: -53.466 tors. eta vs tors. theta energy: -62.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -849.544064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.544064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.544064 (E_RNA) where: Base-Base interactions energy: -505.398 where: short stacking energy: -261.442 Base-Backbone interact. energy: -0.594 local terms energy: -343.551948 where: bonds (distance) C4'-P energy: -88.236 bonds (distance) P-C4' energy: -78.014 flat angles C4'-P-C4' energy: -82.109 flat angles P-C4'-P energy: -50.381 tors. eta vs tors. theta energy: -44.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -852.958659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.958659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.958659 (E_RNA) where: Base-Base interactions energy: -510.275 where: short stacking energy: -224.264 Base-Backbone interact. energy: -1.646 local terms energy: -341.037168 where: bonds (distance) C4'-P energy: -85.745 bonds (distance) P-C4' energy: -89.294 flat angles C4'-P-C4' energy: -68.468 flat angles P-C4'-P energy: -48.372 tors. eta vs tors. theta energy: -49.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -437.856152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.856152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.856152 (E_RNA) where: Base-Base interactions energy: -180.657 where: short stacking energy: -145.680 Base-Backbone interact. energy: 5.420 local terms energy: -262.619521 where: bonds (distance) C4'-P energy: -80.583 bonds (distance) P-C4' energy: -91.534 flat angles C4'-P-C4' energy: -56.594 flat angles P-C4'-P energy: -37.501 tors. eta vs tors. theta energy: 3.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -389.124352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.124352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.124352 (E_RNA) where: Base-Base interactions energy: -134.412 where: short stacking energy: -123.645 Base-Backbone interact. energy: 1.726 local terms energy: -256.437893 where: bonds (distance) C4'-P energy: -91.208 bonds (distance) P-C4' energy: -80.144 flat angles C4'-P-C4' energy: -69.501 flat angles P-C4'-P energy: -19.296 tors. eta vs tors. theta energy: 3.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1677.989090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.989090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.989090 (E_RNA) where: Base-Base interactions energy: -1149.264 where: short stacking energy: -522.423 Base-Backbone interact. energy: -1.328 local terms energy: -527.397377 where: bonds (distance) C4'-P energy: -94.638 bonds (distance) P-C4' energy: -95.218 flat angles C4'-P-C4' energy: -107.212 flat angles P-C4'-P energy: -78.042 tors. eta vs tors. theta energy: -152.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1600.566511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.566511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.566511 (E_RNA) where: Base-Base interactions energy: -1122.476 where: short stacking energy: -488.956 Base-Backbone interact. energy: -1.982 local terms energy: -476.108820 where: bonds (distance) C4'-P energy: -87.665 bonds (distance) P-C4' energy: -83.611 flat angles C4'-P-C4' energy: -102.306 flat angles P-C4'-P energy: -72.226 tors. eta vs tors. theta energy: -130.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1497.459369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.459369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.459369 (E_RNA) where: Base-Base interactions energy: -996.189 where: short stacking energy: -462.700 Base-Backbone interact. energy: -0.097 local terms energy: -501.173358 where: bonds (distance) C4'-P energy: -89.148 bonds (distance) P-C4' energy: -97.287 flat angles C4'-P-C4' energy: -103.887 flat angles P-C4'-P energy: -76.770 tors. eta vs tors. theta energy: -134.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1422.851305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.851305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.851305 (E_RNA) where: Base-Base interactions energy: -947.923 where: short stacking energy: -396.031 Base-Backbone interact. energy: -1.598 local terms energy: -473.329779 where: bonds (distance) C4'-P energy: -77.708 bonds (distance) P-C4' energy: -96.977 flat angles C4'-P-C4' energy: -110.970 flat angles P-C4'-P energy: -71.025 tors. eta vs tors. theta energy: -116.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1304.792579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.792579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.792579 (E_RNA) where: Base-Base interactions energy: -884.771 where: short stacking energy: -402.808 Base-Backbone interact. energy: -2.237 local terms energy: -417.784522 where: bonds (distance) C4'-P energy: -83.222 bonds (distance) P-C4' energy: -77.639 flat angles C4'-P-C4' energy: -98.356 flat angles P-C4'-P energy: -63.015 tors. eta vs tors. theta energy: -95.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -929.070367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.070367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.070367 (E_RNA) where: Base-Base interactions energy: -571.711 where: short stacking energy: -289.845 Base-Backbone interact. energy: -1.382 local terms energy: -355.977357 where: bonds (distance) C4'-P energy: -87.672 bonds (distance) P-C4' energy: -96.850 flat angles C4'-P-C4' energy: -73.943 flat angles P-C4'-P energy: -39.670 tors. eta vs tors. theta energy: -57.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -853.818341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.818341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.818341 (E_RNA) where: Base-Base interactions energy: -517.188 where: short stacking energy: -261.863 Base-Backbone interact. energy: -0.673 local terms energy: -335.957294 where: bonds (distance) C4'-P energy: -72.211 bonds (distance) P-C4' energy: -86.559 flat angles C4'-P-C4' energy: -81.674 flat angles P-C4'-P energy: -47.379 tors. eta vs tors. theta energy: -48.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -764.565894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.565894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.565894 (E_RNA) where: Base-Base interactions energy: -443.726 where: short stacking energy: -232.985 Base-Backbone interact. energy: -1.775 local terms energy: -319.065750 where: bonds (distance) C4'-P energy: -79.065 bonds (distance) P-C4' energy: -67.745 flat angles C4'-P-C4' energy: -90.295 flat angles P-C4'-P energy: -51.004 tors. eta vs tors. theta energy: -30.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -489.343075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.343075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.343075 (E_RNA) where: Base-Base interactions energy: -208.761 where: short stacking energy: -163.887 Base-Backbone interact. energy: 2.241 local terms energy: -282.823334 where: bonds (distance) C4'-P energy: -74.617 bonds (distance) P-C4' energy: -82.021 flat angles C4'-P-C4' energy: -75.455 flat angles P-C4'-P energy: -34.578 tors. eta vs tors. theta energy: -16.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -390.405248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.405248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.405248 (E_RNA) where: Base-Base interactions energy: -117.043 where: short stacking energy: -110.748 Base-Backbone interact. energy: 1.443 local terms energy: -274.805508 where: bonds (distance) C4'-P energy: -73.599 bonds (distance) P-C4' energy: -91.423 flat angles C4'-P-C4' energy: -63.778 flat angles P-C4'-P energy: -54.663 tors. eta vs tors. theta energy: 8.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1714.995209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.995209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.995209 (E_RNA) where: Base-Base interactions energy: -1180.130 where: short stacking energy: -519.767 Base-Backbone interact. energy: -0.681 local terms energy: -534.184651 where: bonds (distance) C4'-P energy: -98.754 bonds (distance) P-C4' energy: -94.553 flat angles C4'-P-C4' energy: -111.866 flat angles P-C4'-P energy: -68.894 tors. eta vs tors. theta energy: -160.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1613.318819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.318819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.318819 (E_RNA) where: Base-Base interactions energy: -1108.577 where: short stacking energy: -481.185 Base-Backbone interact. energy: -1.894 local terms energy: -502.848051 where: bonds (distance) C4'-P energy: -90.412 bonds (distance) P-C4' energy: -91.447 flat angles C4'-P-C4' energy: -112.398 flat angles P-C4'-P energy: -67.458 tors. eta vs tors. theta energy: -141.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1501.672031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.672031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.672031 (E_RNA) where: Base-Base interactions energy: -1010.391 where: short stacking energy: -461.491 Base-Backbone interact. energy: -2.688 local terms energy: -488.593240 where: bonds (distance) C4'-P energy: -89.913 bonds (distance) P-C4' energy: -88.601 flat angles C4'-P-C4' energy: -106.355 flat angles P-C4'-P energy: -57.445 tors. eta vs tors. theta energy: -146.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1417.460835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.460835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.460835 (E_RNA) where: Base-Base interactions energy: -966.378 where: short stacking energy: -417.547 Base-Backbone interact. energy: -1.467 local terms energy: -449.614942 where: bonds (distance) C4'-P energy: -89.698 bonds (distance) P-C4' energy: -80.148 flat angles C4'-P-C4' energy: -109.489 flat angles P-C4'-P energy: -62.495 tors. eta vs tors. theta energy: -107.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1302.395520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.395520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.395520 (E_RNA) where: Base-Base interactions energy: -869.699 where: short stacking energy: -382.412 Base-Backbone interact. energy: -1.749 local terms energy: -430.947732 where: bonds (distance) C4'-P energy: -82.316 bonds (distance) P-C4' energy: -84.592 flat angles C4'-P-C4' energy: -83.880 flat angles P-C4'-P energy: -70.158 tors. eta vs tors. theta energy: -110.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1001.378311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.378311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.378311 (E_RNA) where: Base-Base interactions energy: -609.405 where: short stacking energy: -309.740 Base-Backbone interact. energy: -5.054 local terms energy: -386.919699 where: bonds (distance) C4'-P energy: -84.192 bonds (distance) P-C4' energy: -80.162 flat angles C4'-P-C4' energy: -95.418 flat angles P-C4'-P energy: -60.999 tors. eta vs tors. theta energy: -66.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -882.388112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.388112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.388112 (E_RNA) where: Base-Base interactions energy: -524.567 where: short stacking energy: -252.585 Base-Backbone interact. energy: -1.529 local terms energy: -356.292138 where: bonds (distance) C4'-P energy: -93.279 bonds (distance) P-C4' energy: -79.329 flat angles C4'-P-C4' energy: -82.750 flat angles P-C4'-P energy: -43.669 tors. eta vs tors. theta energy: -57.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -710.117823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.117823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.117823 (E_RNA) where: Base-Base interactions energy: -388.750 where: short stacking energy: -192.658 Base-Backbone interact. energy: 1.675 local terms energy: -323.043570 where: bonds (distance) C4'-P energy: -80.486 bonds (distance) P-C4' energy: -80.138 flat angles C4'-P-C4' energy: -74.360 flat angles P-C4'-P energy: -69.928 tors. eta vs tors. theta energy: -18.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -480.517032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.517032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.517032 (E_RNA) where: Base-Base interactions energy: -205.033 where: short stacking energy: -140.033 Base-Backbone interact. energy: -2.970 local terms energy: -272.513598 where: bonds (distance) C4'-P energy: -73.569 bonds (distance) P-C4' energy: -81.929 flat angles C4'-P-C4' energy: -65.189 flat angles P-C4'-P energy: -50.568 tors. eta vs tors. theta energy: -1.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -399.746430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.746430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.746430 (E_RNA) where: Base-Base interactions energy: -172.844 where: short stacking energy: -118.926 Base-Backbone interact. energy: -1.488 local terms energy: -225.414573 where: bonds (distance) C4'-P energy: -63.038 bonds (distance) P-C4' energy: -80.674 flat angles C4'-P-C4' energy: -69.470 flat angles P-C4'-P energy: -22.573 tors. eta vs tors. theta energy: 10.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1691.833380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.833380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.833380 (E_RNA) where: Base-Base interactions energy: -1153.130 where: short stacking energy: -510.017 Base-Backbone interact. energy: -4.173 local terms energy: -534.531115 where: bonds (distance) C4'-P energy: -88.751 bonds (distance) P-C4' energy: -100.194 flat angles C4'-P-C4' energy: -104.296 flat angles P-C4'-P energy: -70.209 tors. eta vs tors. theta energy: -171.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1601.923131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.923131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.923131 (E_RNA) where: Base-Base interactions energy: -1102.425 where: short stacking energy: -490.011 Base-Backbone interact. energy: -0.213 local terms energy: -499.284949 where: bonds (distance) C4'-P energy: -83.808 bonds (distance) P-C4' energy: -90.263 flat angles C4'-P-C4' energy: -108.539 flat angles P-C4'-P energy: -73.443 tors. eta vs tors. theta energy: -143.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1504.993190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.993190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.993190 (E_RNA) where: Base-Base interactions energy: -1023.213 where: short stacking energy: -441.186 Base-Backbone interact. energy: -2.960 local terms energy: -478.820249 where: bonds (distance) C4'-P energy: -75.170 bonds (distance) P-C4' energy: -95.175 flat angles C4'-P-C4' energy: -104.650 flat angles P-C4'-P energy: -69.702 tors. eta vs tors. theta energy: -134.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1444.206174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.206174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.206174 (E_RNA) where: Base-Base interactions energy: -990.446 where: short stacking energy: -440.849 Base-Backbone interact. energy: -3.145 local terms energy: -450.615038 where: bonds (distance) C4'-P energy: -82.133 bonds (distance) P-C4' energy: -84.384 flat angles C4'-P-C4' energy: -100.341 flat angles P-C4'-P energy: -72.692 tors. eta vs tors. theta energy: -111.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1303.633773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.633773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.633773 (E_RNA) where: Base-Base interactions energy: -877.148 where: short stacking energy: -370.740 Base-Backbone interact. energy: -1.026 local terms energy: -425.459664 where: bonds (distance) C4'-P energy: -84.379 bonds (distance) P-C4' energy: -93.502 flat angles C4'-P-C4' energy: -94.974 flat angles P-C4'-P energy: -59.583 tors. eta vs tors. theta energy: -93.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -994.158494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.158494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.158494 (E_RNA) where: Base-Base interactions energy: -623.758 where: short stacking energy: -294.802 Base-Backbone interact. energy: -2.608 local terms energy: -367.792360 where: bonds (distance) C4'-P energy: -81.149 bonds (distance) P-C4' energy: -84.853 flat angles C4'-P-C4' energy: -82.436 flat angles P-C4'-P energy: -58.941 tors. eta vs tors. theta energy: -60.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -916.531145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.531145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.531145 (E_RNA) where: Base-Base interactions energy: -586.641 where: short stacking energy: -282.175 Base-Backbone interact. energy: 0.090 local terms energy: -329.980458 where: bonds (distance) C4'-P energy: -76.311 bonds (distance) P-C4' energy: -66.116 flat angles C4'-P-C4' energy: -78.211 flat angles P-C4'-P energy: -52.508 tors. eta vs tors. theta energy: -56.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -736.891491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.891491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.891491 (E_RNA) where: Base-Base interactions energy: -427.072 where: short stacking energy: -214.973 Base-Backbone interact. energy: -2.296 local terms energy: -307.522747 where: bonds (distance) C4'-P energy: -77.095 bonds (distance) P-C4' energy: -81.846 flat angles C4'-P-C4' energy: -76.626 flat angles P-C4'-P energy: -50.158 tors. eta vs tors. theta energy: -21.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -409.127706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.127706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.127706 (E_RNA) where: Base-Base interactions energy: -148.169 where: short stacking energy: -129.042 Base-Backbone interact. energy: -1.633 local terms energy: -259.325295 where: bonds (distance) C4'-P energy: -79.212 bonds (distance) P-C4' energy: -73.444 flat angles C4'-P-C4' energy: -66.990 flat angles P-C4'-P energy: -38.944 tors. eta vs tors. theta energy: -0.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -438.186276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.186276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.186276 (E_RNA) where: Base-Base interactions energy: -193.285 where: short stacking energy: -124.298 Base-Backbone interact. energy: 4.189 local terms energy: -249.089996 where: bonds (distance) C4'-P energy: -83.535 bonds (distance) P-C4' energy: -77.893 flat angles C4'-P-C4' energy: -61.180 flat angles P-C4'-P energy: -29.700 tors. eta vs tors. theta energy: 3.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1704.806001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.806001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.806001 (E_RNA) where: Base-Base interactions energy: -1160.291 where: short stacking energy: -502.345 Base-Backbone interact. energy: -1.014 local terms energy: -543.501077 where: bonds (distance) C4'-P energy: -94.638 bonds (distance) P-C4' energy: -107.326 flat angles C4'-P-C4' energy: -110.823 flat angles P-C4'-P energy: -70.760 tors. eta vs tors. theta energy: -159.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1594.141090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.141090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.141090 (E_RNA) where: Base-Base interactions energy: -1086.981 where: short stacking energy: -488.485 Base-Backbone interact. energy: -2.173 local terms energy: -504.986749 where: bonds (distance) C4'-P energy: -97.428 bonds (distance) P-C4' energy: -93.552 flat angles C4'-P-C4' energy: -104.104 flat angles P-C4'-P energy: -67.014 tors. eta vs tors. theta energy: -142.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1501.441079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.441079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.441079 (E_RNA) where: Base-Base interactions energy: -1003.717 where: short stacking energy: -452.740 Base-Backbone interact. energy: -4.670 local terms energy: -493.054212 where: bonds (distance) C4'-P energy: -89.839 bonds (distance) P-C4' energy: -93.282 flat angles C4'-P-C4' energy: -110.135 flat angles P-C4'-P energy: -65.101 tors. eta vs tors. theta energy: -134.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1424.190602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.190602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.190602 (E_RNA) where: Base-Base interactions energy: -991.078 where: short stacking energy: -414.784 Base-Backbone interact. energy: -1.528 local terms energy: -431.584047 where: bonds (distance) C4'-P energy: -84.096 bonds (distance) P-C4' energy: -83.019 flat angles C4'-P-C4' energy: -97.657 flat angles P-C4'-P energy: -55.646 tors. eta vs tors. theta energy: -111.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1308.687999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.687999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.687999 (E_RNA) where: Base-Base interactions energy: -868.461 where: short stacking energy: -381.420 Base-Backbone interact. energy: -1.470 local terms energy: -438.757286 where: bonds (distance) C4'-P energy: -74.178 bonds (distance) P-C4' energy: -99.022 flat angles C4'-P-C4' energy: -79.826 flat angles P-C4'-P energy: -71.818 tors. eta vs tors. theta energy: -113.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -995.747588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.747588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.747588 (E_RNA) where: Base-Base interactions energy: -634.400 where: short stacking energy: -294.189 Base-Backbone interact. energy: -0.054 local terms energy: -361.294245 where: bonds (distance) C4'-P energy: -92.930 bonds (distance) P-C4' energy: -75.958 flat angles C4'-P-C4' energy: -84.238 flat angles P-C4'-P energy: -43.342 tors. eta vs tors. theta energy: -64.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -894.854079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.854079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.854079 (E_RNA) where: Base-Base interactions energy: -546.828 where: short stacking energy: -279.174 Base-Backbone interact. energy: 1.569 local terms energy: -349.594297 where: bonds (distance) C4'-P energy: -74.233 bonds (distance) P-C4' energy: -85.897 flat angles C4'-P-C4' energy: -91.552 flat angles P-C4'-P energy: -29.265 tors. eta vs tors. theta energy: -68.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -798.629507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.629507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.629507 (E_RNA) where: Base-Base interactions energy: -468.930 where: short stacking energy: -217.700 Base-Backbone interact. energy: 1.588 local terms energy: -331.287908 where: bonds (distance) C4'-P energy: -89.948 bonds (distance) P-C4' energy: -87.614 flat angles C4'-P-C4' energy: -73.315 flat angles P-C4'-P energy: -41.535 tors. eta vs tors. theta energy: -38.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -447.417839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.417839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.417839 (E_RNA) where: Base-Base interactions energy: -176.138 where: short stacking energy: -140.341 Base-Backbone interact. energy: -2.253 local terms energy: -269.027749 where: bonds (distance) C4'-P energy: -82.659 bonds (distance) P-C4' energy: -89.752 flat angles C4'-P-C4' energy: -65.275 flat angles P-C4'-P energy: -35.977 tors. eta vs tors. theta energy: 4.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -427.807679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.807679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.807679 (E_RNA) where: Base-Base interactions energy: -185.262 where: short stacking energy: -130.395 Base-Backbone interact. energy: -1.016 local terms energy: -241.530270 where: bonds (distance) C4'-P energy: -82.574 bonds (distance) P-C4' energy: -68.041 flat angles C4'-P-C4' energy: -75.915 flat angles P-C4'-P energy: -35.672 tors. eta vs tors. theta energy: 20.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1696.160712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.160712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.160712 (E_RNA) where: Base-Base interactions energy: -1148.966 where: short stacking energy: -503.698 Base-Backbone interact. energy: -0.112 local terms energy: -547.082729 where: bonds (distance) C4'-P energy: -100.315 bonds (distance) P-C4' energy: -89.349 flat angles C4'-P-C4' energy: -123.407 flat angles P-C4'-P energy: -77.281 tors. eta vs tors. theta energy: -156.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1569.007500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.007500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.007500 (E_RNA) where: Base-Base interactions energy: -1067.326 where: short stacking energy: -474.069 Base-Backbone interact. energy: 1.722 local terms energy: -503.403058 where: bonds (distance) C4'-P energy: -100.093 bonds (distance) P-C4' energy: -93.440 flat angles C4'-P-C4' energy: -103.742 flat angles P-C4'-P energy: -68.885 tors. eta vs tors. theta energy: -137.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1524.758988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.758988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.758988 (E_RNA) where: Base-Base interactions energy: -1035.375 where: short stacking energy: -453.921 Base-Backbone interact. energy: 1.369 local terms energy: -490.752552 where: bonds (distance) C4'-P energy: -86.760 bonds (distance) P-C4' energy: -98.392 flat angles C4'-P-C4' energy: -101.026 flat angles P-C4'-P energy: -68.806 tors. eta vs tors. theta energy: -135.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -1402.500780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.500780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.500780 (E_RNA) where: Base-Base interactions energy: -948.224 where: short stacking energy: -426.112 Base-Backbone interact. energy: -0.322 local terms energy: -453.955176 where: bonds (distance) C4'-P energy: -79.451 bonds (distance) P-C4' energy: -89.509 flat angles C4'-P-C4' energy: -92.802 flat angles P-C4'-P energy: -69.422 tors. eta vs tors. theta energy: -122.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1304.225600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.225600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.225600 (E_RNA) where: Base-Base interactions energy: -877.555 where: short stacking energy: -397.396 Base-Backbone interact. energy: 0.106 local terms energy: -426.776465 where: bonds (distance) C4'-P energy: -94.826 bonds (distance) P-C4' energy: -67.683 flat angles C4'-P-C4' energy: -90.404 flat angles P-C4'-P energy: -69.610 tors. eta vs tors. theta energy: -104.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -986.223996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.223996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.223996 (E_RNA) where: Base-Base interactions energy: -608.713 where: short stacking energy: -310.813 Base-Backbone interact. energy: -0.159 local terms energy: -377.351697 where: bonds (distance) C4'-P energy: -77.087 bonds (distance) P-C4' energy: -81.121 flat angles C4'-P-C4' energy: -88.040 flat angles P-C4'-P energy: -62.899 tors. eta vs tors. theta energy: -68.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -932.891876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.891876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.891876 (E_RNA) where: Base-Base interactions energy: -552.233 where: short stacking energy: -268.215 Base-Backbone interact. energy: -1.575 local terms energy: -379.083250 where: bonds (distance) C4'-P energy: -75.177 bonds (distance) P-C4' energy: -81.445 flat angles C4'-P-C4' energy: -92.584 flat angles P-C4'-P energy: -63.455 tors. eta vs tors. theta energy: -66.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -733.572344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.572344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.572344 (E_RNA) where: Base-Base interactions energy: -411.442 where: short stacking energy: -197.634 Base-Backbone interact. energy: -1.765 local terms energy: -320.365635 where: bonds (distance) C4'-P energy: -77.467 bonds (distance) P-C4' energy: -84.180 flat angles C4'-P-C4' energy: -69.342 flat angles P-C4'-P energy: -50.640 tors. eta vs tors. theta energy: -38.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -465.541341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.541341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.541341 (E_RNA) where: Base-Base interactions energy: -192.430 where: short stacking energy: -122.445 Base-Backbone interact. energy: 1.105 local terms energy: -274.216479 where: bonds (distance) C4'-P energy: -81.180 bonds (distance) P-C4' energy: -87.289 flat angles C4'-P-C4' energy: -59.652 flat angles P-C4'-P energy: -42.784 tors. eta vs tors. theta energy: -3.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -406.804818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.804818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.804818 (E_RNA) where: Base-Base interactions energy: -172.862 where: short stacking energy: -143.518 Base-Backbone interact. energy: 2.683 local terms energy: -236.625561 where: bonds (distance) C4'-P energy: -71.396 bonds (distance) P-C4' energy: -76.770 flat angles C4'-P-C4' energy: -41.725 flat angles P-C4'-P energy: -43.139 tors. eta vs tors. theta energy: -3.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1683.991113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.991113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.991113 (E_RNA) where: Base-Base interactions energy: -1161.454 where: short stacking energy: -495.707 Base-Backbone interact. energy: -1.534 local terms energy: -521.003136 where: bonds (distance) C4'-P energy: -83.758 bonds (distance) P-C4' energy: -97.862 flat angles C4'-P-C4' energy: -107.630 flat angles P-C4'-P energy: -71.554 tors. eta vs tors. theta energy: -160.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1604.493510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.493510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.493510 (E_RNA) where: Base-Base interactions energy: -1105.210 where: short stacking energy: -461.693 Base-Backbone interact. energy: -2.864 local terms energy: -496.418904 where: bonds (distance) C4'-P energy: -90.409 bonds (distance) P-C4' energy: -94.425 flat angles C4'-P-C4' energy: -96.592 flat angles P-C4'-P energy: -70.471 tors. eta vs tors. theta energy: -144.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1522.734627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.734627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.734627 (E_RNA) where: Base-Base interactions energy: -1049.952 where: short stacking energy: -447.914 Base-Backbone interact. energy: -1.069 local terms energy: -471.712948 where: bonds (distance) C4'-P energy: -84.306 bonds (distance) P-C4' energy: -84.209 flat angles C4'-P-C4' energy: -103.070 flat angles P-C4'-P energy: -71.332 tors. eta vs tors. theta energy: -128.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1424.268523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.268523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.268523 (E_RNA) where: Base-Base interactions energy: -956.239 where: short stacking energy: -418.521 Base-Backbone interact. energy: -1.826 local terms energy: -466.203327 where: bonds (distance) C4'-P energy: -85.314 bonds (distance) P-C4' energy: -92.726 flat angles C4'-P-C4' energy: -111.727 flat angles P-C4'-P energy: -57.760 tors. eta vs tors. theta energy: -118.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1318.615399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.615399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.615399 (E_RNA) where: Base-Base interactions energy: -868.081 where: short stacking energy: -398.104 Base-Backbone interact. energy: -1.454 local terms energy: -449.080337 where: bonds (distance) C4'-P energy: -89.547 bonds (distance) P-C4' energy: -87.003 flat angles C4'-P-C4' energy: -93.451 flat angles P-C4'-P energy: -67.971 tors. eta vs tors. theta energy: -111.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1033.712658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.712658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.712658 (E_RNA) where: Base-Base interactions energy: -655.654 where: short stacking energy: -301.541 Base-Backbone interact. energy: -2.741 local terms energy: -375.317977 where: bonds (distance) C4'-P energy: -71.402 bonds (distance) P-C4' energy: -80.197 flat angles C4'-P-C4' energy: -86.829 flat angles P-C4'-P energy: -64.056 tors. eta vs tors. theta energy: -72.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -980.902569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.902569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.902569 (E_RNA) where: Base-Base interactions energy: -614.591 where: short stacking energy: -289.703 Base-Backbone interact. energy: -1.933 local terms energy: -364.378447 where: bonds (distance) C4'-P energy: -81.206 bonds (distance) P-C4' energy: -90.219 flat angles C4'-P-C4' energy: -75.428 flat angles P-C4'-P energy: -56.287 tors. eta vs tors. theta energy: -61.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -769.933507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.933507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.933507 (E_RNA) where: Base-Base interactions energy: -446.963 where: short stacking energy: -226.134 Base-Backbone interact. energy: -0.731 local terms energy: -322.239593 where: bonds (distance) C4'-P energy: -78.632 bonds (distance) P-C4' energy: -78.091 flat angles C4'-P-C4' energy: -81.481 flat angles P-C4'-P energy: -45.700 tors. eta vs tors. theta energy: -38.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -459.075629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.075629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.075629 (E_RNA) where: Base-Base interactions energy: -193.616 where: short stacking energy: -131.538 Base-Backbone interact. energy: -0.657 local terms energy: -264.802390 where: bonds (distance) C4'-P energy: -75.229 bonds (distance) P-C4' energy: -85.268 flat angles C4'-P-C4' energy: -69.891 flat angles P-C4'-P energy: -37.021 tors. eta vs tors. theta energy: 2.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -385.128904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.128904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.128904 (E_RNA) where: Base-Base interactions energy: -158.091 where: short stacking energy: -99.658 Base-Backbone interact. energy: 1.090 local terms energy: -228.128152 where: bonds (distance) C4'-P energy: -87.570 bonds (distance) P-C4' energy: -67.025 flat angles C4'-P-C4' energy: -59.630 flat angles P-C4'-P energy: -31.844 tors. eta vs tors. theta energy: 17.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1659.205833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.205833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.205833 (E_RNA) where: Base-Base interactions energy: -1135.649 where: short stacking energy: -511.550 Base-Backbone interact. energy: 1.034 local terms energy: -524.591114 where: bonds (distance) C4'-P energy: -88.639 bonds (distance) P-C4' energy: -101.038 flat angles C4'-P-C4' energy: -109.018 flat angles P-C4'-P energy: -74.181 tors. eta vs tors. theta energy: -151.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1599.034938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.034938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.034938 (E_RNA) where: Base-Base interactions energy: -1092.718 where: short stacking energy: -487.499 Base-Backbone interact. energy: -2.369 local terms energy: -503.947841 where: bonds (distance) C4'-P energy: -85.623 bonds (distance) P-C4' energy: -90.998 flat angles C4'-P-C4' energy: -111.766 flat angles P-C4'-P energy: -70.321 tors. eta vs tors. theta energy: -145.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1482.390058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.390058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.390058 (E_RNA) where: Base-Base interactions energy: -1015.587 where: short stacking energy: -439.242 Base-Backbone interact. energy: -2.798 local terms energy: -464.005468 where: bonds (distance) C4'-P energy: -82.341 bonds (distance) P-C4' energy: -83.578 flat angles C4'-P-C4' energy: -102.693 flat angles P-C4'-P energy: -69.590 tors. eta vs tors. theta energy: -125.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1385.246549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.246549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.246549 (E_RNA) where: Base-Base interactions energy: -932.469 where: short stacking energy: -427.390 Base-Backbone interact. energy: 2.235 local terms energy: -455.012622 where: bonds (distance) C4'-P energy: -85.939 bonds (distance) P-C4' energy: -82.575 flat angles C4'-P-C4' energy: -103.333 flat angles P-C4'-P energy: -65.209 tors. eta vs tors. theta energy: -117.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1318.983756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.983756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.983756 (E_RNA) where: Base-Base interactions energy: -878.669 where: short stacking energy: -392.726 Base-Backbone interact. energy: -1.660 local terms energy: -438.655302 where: bonds (distance) C4'-P energy: -67.874 bonds (distance) P-C4' energy: -98.421 flat angles C4'-P-C4' energy: -90.090 flat angles P-C4'-P energy: -68.488 tors. eta vs tors. theta energy: -113.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1002.837771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.837771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.837771 (E_RNA) where: Base-Base interactions energy: -621.843 where: short stacking energy: -300.435 Base-Backbone interact. energy: 1.792 local terms energy: -382.787163 where: bonds (distance) C4'-P energy: -77.533 bonds (distance) P-C4' energy: -66.704 flat angles C4'-P-C4' energy: -101.712 flat angles P-C4'-P energy: -62.343 tors. eta vs tors. theta energy: -74.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1013.356543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.356543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.356543 (E_RNA) where: Base-Base interactions energy: -639.094 where: short stacking energy: -310.831 Base-Backbone interact. energy: 5.424 local terms energy: -379.687029 where: bonds (distance) C4'-P energy: -97.631 bonds (distance) P-C4' energy: -78.848 flat angles C4'-P-C4' energy: -84.796 flat angles P-C4'-P energy: -49.825 tors. eta vs tors. theta energy: -68.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -730.186071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.186071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.186071 (E_RNA) where: Base-Base interactions energy: -404.677 where: short stacking energy: -197.083 Base-Backbone interact. energy: -2.776 local terms energy: -322.733748 where: bonds (distance) C4'-P energy: -91.809 bonds (distance) P-C4' energy: -79.273 flat angles C4'-P-C4' energy: -66.498 flat angles P-C4'-P energy: -45.169 tors. eta vs tors. theta energy: -39.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -439.557845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.557845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.557845 (E_RNA) where: Base-Base interactions energy: -177.485 where: short stacking energy: -169.601 Base-Backbone interact. energy: -1.404 local terms energy: -260.668526 where: bonds (distance) C4'-P energy: -73.998 bonds (distance) P-C4' energy: -80.051 flat angles C4'-P-C4' energy: -68.343 flat angles P-C4'-P energy: -33.852 tors. eta vs tors. theta energy: -4.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -413.928174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.928174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.928174 (E_RNA) where: Base-Base interactions energy: -169.355 where: short stacking energy: -117.441 Base-Backbone interact. energy: 0.459 local terms energy: -245.032090 where: bonds (distance) C4'-P energy: -72.697 bonds (distance) P-C4' energy: -77.484 flat angles C4'-P-C4' energy: -75.742 flat angles P-C4'-P energy: -25.915 tors. eta vs tors. theta energy: 6.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1693.414174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.414174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.414174 (E_RNA) where: Base-Base interactions energy: -1145.376 where: short stacking energy: -507.704 Base-Backbone interact. energy: -2.090 local terms energy: -545.947576 where: bonds (distance) C4'-P energy: -90.820 bonds (distance) P-C4' energy: -98.781 flat angles C4'-P-C4' energy: -111.557 flat angles P-C4'-P energy: -78.761 tors. eta vs tors. theta energy: -166.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1611.963882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.963882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.963882 (E_RNA) where: Base-Base interactions energy: -1118.805 where: short stacking energy: -494.589 Base-Backbone interact. energy: -1.598 local terms energy: -491.560679 where: bonds (distance) C4'-P energy: -91.222 bonds (distance) P-C4' energy: -90.610 flat angles C4'-P-C4' energy: -108.924 flat angles P-C4'-P energy: -57.643 tors. eta vs tors. theta energy: -143.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1537.404807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.404807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.404807 (E_RNA) where: Base-Base interactions energy: -1047.306 where: short stacking energy: -481.076 Base-Backbone interact. energy: -2.327 local terms energy: -487.771363 where: bonds (distance) C4'-P energy: -77.673 bonds (distance) P-C4' energy: -87.639 flat angles C4'-P-C4' energy: -115.160 flat angles P-C4'-P energy: -74.052 tors. eta vs tors. theta energy: -133.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1366.273652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.273652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.273652 (E_RNA) where: Base-Base interactions energy: -931.309 where: short stacking energy: -421.075 Base-Backbone interact. energy: -1.546 local terms energy: -433.418916 where: bonds (distance) C4'-P energy: -83.782 bonds (distance) P-C4' energy: -82.468 flat angles C4'-P-C4' energy: -90.316 flat angles P-C4'-P energy: -60.992 tors. eta vs tors. theta energy: -115.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -1368.612753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.612753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.612753 (E_RNA) where: Base-Base interactions energy: -913.999 where: short stacking energy: -402.173 Base-Backbone interact. energy: 0.990 local terms energy: -455.603597 where: bonds (distance) C4'-P energy: -69.958 bonds (distance) P-C4' energy: -95.391 flat angles C4'-P-C4' energy: -103.678 flat angles P-C4'-P energy: -63.952 tors. eta vs tors. theta energy: -122.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1148.371835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.371835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.371835 (E_RNA) where: Base-Base interactions energy: -735.268 where: short stacking energy: -340.332 Base-Backbone interact. energy: -0.695 local terms energy: -412.408958 where: bonds (distance) C4'-P energy: -74.733 bonds (distance) P-C4' energy: -94.698 flat angles C4'-P-C4' energy: -93.634 flat angles P-C4'-P energy: -61.696 tors. eta vs tors. theta energy: -87.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1040.530052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.530052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.530052 (E_RNA) where: Base-Base interactions energy: -644.300 where: short stacking energy: -309.028 Base-Backbone interact. energy: -0.843 local terms energy: -395.387394 where: bonds (distance) C4'-P energy: -92.891 bonds (distance) P-C4' energy: -85.305 flat angles C4'-P-C4' energy: -82.926 flat angles P-C4'-P energy: -58.562 tors. eta vs tors. theta energy: -75.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -720.539604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.539604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.539604 (E_RNA) where: Base-Base interactions energy: -413.602 where: short stacking energy: -206.888 Base-Backbone interact. energy: -0.951 local terms energy: -305.986535 where: bonds (distance) C4'-P energy: -72.245 bonds (distance) P-C4' energy: -82.819 flat angles C4'-P-C4' energy: -77.763 flat angles P-C4'-P energy: -40.730 tors. eta vs tors. theta energy: -32.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -437.146185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.146185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.146185 (E_RNA) where: Base-Base interactions energy: -159.242 where: short stacking energy: -147.521 Base-Backbone interact. energy: -0.861 local terms energy: -277.043286 where: bonds (distance) C4'-P energy: -81.470 bonds (distance) P-C4' energy: -79.523 flat angles C4'-P-C4' energy: -57.820 flat angles P-C4'-P energy: -48.566 tors. eta vs tors. theta energy: -9.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -378.721855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.721855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.721855 (E_RNA) where: Base-Base interactions energy: -147.518 where: short stacking energy: -96.940 Base-Backbone interact. energy: -0.459 local terms energy: -230.744671 where: bonds (distance) C4'-P energy: -73.613 bonds (distance) P-C4' energy: -75.882 flat angles C4'-P-C4' energy: -70.370 flat angles P-C4'-P energy: -38.564 tors. eta vs tors. theta energy: 27.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1687.164629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.164629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.164629 (E_RNA) where: Base-Base interactions energy: -1148.468 where: short stacking energy: -495.706 Base-Backbone interact. energy: 0.805 local terms energy: -539.501409 where: bonds (distance) C4'-P energy: -101.113 bonds (distance) P-C4' energy: -97.196 flat angles C4'-P-C4' energy: -103.072 flat angles P-C4'-P energy: -74.595 tors. eta vs tors. theta energy: -163.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1578.566509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.566509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.566509 (E_RNA) where: Base-Base interactions energy: -1085.376 where: short stacking energy: -484.238 Base-Backbone interact. energy: -1.032 local terms energy: -492.159110 where: bonds (distance) C4'-P energy: -90.068 bonds (distance) P-C4' energy: -104.528 flat angles C4'-P-C4' energy: -100.015 flat angles P-C4'-P energy: -60.557 tors. eta vs tors. theta energy: -136.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1504.157413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.157413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.157413 (E_RNA) where: Base-Base interactions energy: -1014.855 where: short stacking energy: -454.866 Base-Backbone interact. energy: -1.214 local terms energy: -488.088072 where: bonds (distance) C4'-P energy: -97.333 bonds (distance) P-C4' energy: -91.339 flat angles C4'-P-C4' energy: -96.806 flat angles P-C4'-P energy: -67.350 tors. eta vs tors. theta energy: -135.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1361.600892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.600892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.600892 (E_RNA) where: Base-Base interactions energy: -919.597 where: short stacking energy: -426.185 Base-Backbone interact. energy: -3.924 local terms energy: -438.079963 where: bonds (distance) C4'-P energy: -93.673 bonds (distance) P-C4' energy: -72.084 flat angles C4'-P-C4' energy: -95.286 flat angles P-C4'-P energy: -62.047 tors. eta vs tors. theta energy: -114.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1380.353846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.353846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.353846 (E_RNA) where: Base-Base interactions energy: -961.266 where: short stacking energy: -417.463 Base-Backbone interact. energy: 2.997 local terms energy: -422.085747 where: bonds (distance) C4'-P energy: -82.051 bonds (distance) P-C4' energy: -78.758 flat angles C4'-P-C4' energy: -79.641 flat angles P-C4'-P energy: -66.124 tors. eta vs tors. theta energy: -115.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1113.321447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.321447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.321447 (E_RNA) where: Base-Base interactions energy: -715.853 where: short stacking energy: -328.811 Base-Backbone interact. energy: -1.294 local terms energy: -396.175080 where: bonds (distance) C4'-P energy: -79.780 bonds (distance) P-C4' energy: -70.592 flat angles C4'-P-C4' energy: -90.921 flat angles P-C4'-P energy: -68.166 tors. eta vs tors. theta energy: -86.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -977.993439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.993439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.993439 (E_RNA) where: Base-Base interactions energy: -604.821 where: short stacking energy: -292.293 Base-Backbone interact. energy: -0.122 local terms energy: -373.049857 where: bonds (distance) C4'-P energy: -76.042 bonds (distance) P-C4' energy: -91.234 flat angles C4'-P-C4' energy: -83.104 flat angles P-C4'-P energy: -69.612 tors. eta vs tors. theta energy: -53.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -690.947751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.947751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.947751 (E_RNA) where: Base-Base interactions energy: -388.163 where: short stacking energy: -198.542 Base-Backbone interact. energy: -3.177 local terms energy: -299.608015 where: bonds (distance) C4'-P energy: -87.883 bonds (distance) P-C4' energy: -84.532 flat angles C4'-P-C4' energy: -52.020 flat angles P-C4'-P energy: -46.716 tors. eta vs tors. theta energy: -28.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -460.392475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.392475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.392475 (E_RNA) where: Base-Base interactions energy: -205.015 where: short stacking energy: -152.184 Base-Backbone interact. energy: 3.275 local terms energy: -258.652020 where: bonds (distance) C4'-P energy: -74.137 bonds (distance) P-C4' energy: -83.841 flat angles C4'-P-C4' energy: -67.617 flat angles P-C4'-P energy: -33.015 tors. eta vs tors. theta energy: -0.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -373.511087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.511087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.511087 (E_RNA) where: Base-Base interactions energy: -128.337 where: short stacking energy: -107.647 Base-Backbone interact. energy: 0.123 local terms energy: -245.296816 where: bonds (distance) C4'-P energy: -72.977 bonds (distance) P-C4' energy: -73.202 flat angles C4'-P-C4' energy: -76.328 flat angles P-C4'-P energy: -34.952 tors. eta vs tors. theta energy: 12.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1680.409567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.409567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.409567 (E_RNA) where: Base-Base interactions energy: -1139.777 where: short stacking energy: -498.852 Base-Backbone interact. energy: -2.455 local terms energy: -538.177582 where: bonds (distance) C4'-P energy: -87.588 bonds (distance) P-C4' energy: -103.388 flat angles C4'-P-C4' energy: -107.599 flat angles P-C4'-P energy: -84.010 tors. eta vs tors. theta energy: -155.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1565.746319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.746319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.746319 (E_RNA) where: Base-Base interactions energy: -1089.794 where: short stacking energy: -473.751 Base-Backbone interact. energy: -2.920 local terms energy: -473.031585 where: bonds (distance) C4'-P energy: -85.576 bonds (distance) P-C4' energy: -85.451 flat angles C4'-P-C4' energy: -107.297 flat angles P-C4'-P energy: -55.079 tors. eta vs tors. theta energy: -139.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1497.619743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.619743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.619743 (E_RNA) where: Base-Base interactions energy: -1024.203 where: short stacking energy: -434.035 Base-Backbone interact. energy: -1.104 local terms energy: -472.312538 where: bonds (distance) C4'-P energy: -87.191 bonds (distance) P-C4' energy: -77.218 flat angles C4'-P-C4' energy: -97.019 flat angles P-C4'-P energy: -74.625 tors. eta vs tors. theta energy: -136.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1400.025495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.025495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.025495 (E_RNA) where: Base-Base interactions energy: -945.158 where: short stacking energy: -424.366 Base-Backbone interact. energy: -1.407 local terms energy: -453.460405 where: bonds (distance) C4'-P energy: -80.239 bonds (distance) P-C4' energy: -92.865 flat angles C4'-P-C4' energy: -101.688 flat angles P-C4'-P energy: -56.239 tors. eta vs tors. theta energy: -122.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1296.109622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.109622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.109622 (E_RNA) where: Base-Base interactions energy: -870.612 where: short stacking energy: -371.433 Base-Backbone interact. energy: -1.164 local terms energy: -424.333217 where: bonds (distance) C4'-P energy: -94.242 bonds (distance) P-C4' energy: -84.432 flat angles C4'-P-C4' energy: -86.593 flat angles P-C4'-P energy: -52.731 tors. eta vs tors. theta energy: -106.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1073.234663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.234663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.234663 (E_RNA) where: Base-Base interactions energy: -668.465 where: short stacking energy: -319.903 Base-Backbone interact. energy: 5.863 local terms energy: -410.632803 where: bonds (distance) C4'-P energy: -77.342 bonds (distance) P-C4' energy: -95.223 flat angles C4'-P-C4' energy: -92.836 flat angles P-C4'-P energy: -74.109 tors. eta vs tors. theta energy: -71.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -960.184100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.184100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.184100 (E_RNA) where: Base-Base interactions energy: -583.347 where: short stacking energy: -279.972 Base-Backbone interact. energy: -0.952 local terms energy: -375.885065 where: bonds (distance) C4'-P energy: -78.890 bonds (distance) P-C4' energy: -95.485 flat angles C4'-P-C4' energy: -87.222 flat angles P-C4'-P energy: -58.935 tors. eta vs tors. theta energy: -55.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -642.197697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.197697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.197697 (E_RNA) where: Base-Base interactions energy: -374.605 where: short stacking energy: -200.522 Base-Backbone interact. energy: 3.871 local terms energy: -271.463388 where: bonds (distance) C4'-P energy: -75.988 bonds (distance) P-C4' energy: -80.775 flat angles C4'-P-C4' energy: -52.488 flat angles P-C4'-P energy: -46.279 tors. eta vs tors. theta energy: -15.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -480.493711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.493711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.493711 (E_RNA) where: Base-Base interactions energy: -229.280 where: short stacking energy: -157.059 Base-Backbone interact. energy: 2.203 local terms energy: -253.416097 where: bonds (distance) C4'-P energy: -76.629 bonds (distance) P-C4' energy: -73.858 flat angles C4'-P-C4' energy: -53.736 flat angles P-C4'-P energy: -32.881 tors. eta vs tors. theta energy: -16.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -410.245219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.245219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.245219 (E_RNA) where: Base-Base interactions energy: -146.155 where: short stacking energy: -106.723 Base-Backbone interact. energy: 4.354 local terms energy: -268.444448 where: bonds (distance) C4'-P energy: -76.844 bonds (distance) P-C4' energy: -79.419 flat angles C4'-P-C4' energy: -69.435 flat angles P-C4'-P energy: -49.873 tors. eta vs tors. theta energy: 7.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1683.168358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.168358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.168358 (E_RNA) where: Base-Base interactions energy: -1138.330 where: short stacking energy: -514.326 Base-Backbone interact. energy: -0.143 local terms energy: -544.695581 where: bonds (distance) C4'-P energy: -92.219 bonds (distance) P-C4' energy: -98.023 flat angles C4'-P-C4' energy: -108.433 flat angles P-C4'-P energy: -85.108 tors. eta vs tors. theta energy: -160.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1598.349315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.349315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.349315 (E_RNA) where: Base-Base interactions energy: -1086.829 where: short stacking energy: -485.168 Base-Backbone interact. energy: 1.144 local terms energy: -512.664720 where: bonds (distance) C4'-P energy: -94.012 bonds (distance) P-C4' energy: -101.009 flat angles C4'-P-C4' energy: -103.852 flat angles P-C4'-P energy: -77.510 tors. eta vs tors. theta energy: -136.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1493.724317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.724317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.724317 (E_RNA) where: Base-Base interactions energy: -1031.066 where: short stacking energy: -438.077 Base-Backbone interact. energy: -1.506 local terms energy: -461.152532 where: bonds (distance) C4'-P energy: -84.440 bonds (distance) P-C4' energy: -93.898 flat angles C4'-P-C4' energy: -90.962 flat angles P-C4'-P energy: -62.663 tors. eta vs tors. theta energy: -129.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1385.495442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.495442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.495442 (E_RNA) where: Base-Base interactions energy: -942.260 where: short stacking energy: -416.626 Base-Backbone interact. energy: -2.798 local terms energy: -440.437760 where: bonds (distance) C4'-P energy: -79.781 bonds (distance) P-C4' energy: -80.455 flat angles C4'-P-C4' energy: -102.639 flat angles P-C4'-P energy: -63.064 tors. eta vs tors. theta energy: -114.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1290.203021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.203021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.203021 (E_RNA) where: Base-Base interactions energy: -857.283 where: short stacking energy: -391.800 Base-Backbone interact. energy: -0.900 local terms energy: -432.019830 where: bonds (distance) C4'-P energy: -76.292 bonds (distance) P-C4' energy: -92.125 flat angles C4'-P-C4' energy: -100.320 flat angles P-C4'-P energy: -55.980 tors. eta vs tors. theta energy: -107.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1095.448602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.448602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.448602 (E_RNA) where: Base-Base interactions energy: -706.605 where: short stacking energy: -329.815 Base-Backbone interact. energy: -2.212 local terms energy: -386.631715 where: bonds (distance) C4'-P energy: -86.459 bonds (distance) P-C4' energy: -85.053 flat angles C4'-P-C4' energy: -89.595 flat angles P-C4'-P energy: -52.357 tors. eta vs tors. theta energy: -73.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1007.685773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.685773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.685773 (E_RNA) where: Base-Base interactions energy: -662.805 where: short stacking energy: -311.423 Base-Backbone interact. energy: 0.267 local terms energy: -345.147830 where: bonds (distance) C4'-P energy: -68.670 bonds (distance) P-C4' energy: -74.187 flat angles C4'-P-C4' energy: -87.117 flat angles P-C4'-P energy: -49.448 tors. eta vs tors. theta energy: -65.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -672.665566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.665566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.665566 (E_RNA) where: Base-Base interactions energy: -380.127 where: short stacking energy: -201.063 Base-Backbone interact. energy: 2.112 local terms energy: -294.650695 where: bonds (distance) C4'-P energy: -80.131 bonds (distance) P-C4' energy: -83.534 flat angles C4'-P-C4' energy: -60.776 flat angles P-C4'-P energy: -48.394 tors. eta vs tors. theta energy: -21.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -503.515550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.515550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.515550 (E_RNA) where: Base-Base interactions energy: -225.405 where: short stacking energy: -133.215 Base-Backbone interact. energy: -1.010 local terms energy: -277.101092 where: bonds (distance) C4'-P energy: -76.444 bonds (distance) P-C4' energy: -91.238 flat angles C4'-P-C4' energy: -69.642 flat angles P-C4'-P energy: -39.697 tors. eta vs tors. theta energy: -0.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -375.130149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.130149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.130149 (E_RNA) where: Base-Base interactions energy: -133.637 where: short stacking energy: -115.308 Base-Backbone interact. energy: -1.770 local terms energy: -239.723414 where: bonds (distance) C4'-P energy: -74.838 bonds (distance) P-C4' energy: -68.630 flat angles C4'-P-C4' energy: -68.959 flat angles P-C4'-P energy: -32.865 tors. eta vs tors. theta energy: 5.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1674.231562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.231562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.231562 (E_RNA) where: Base-Base interactions energy: -1136.443 where: short stacking energy: -502.399 Base-Backbone interact. energy: -1.386 local terms energy: -536.402565 where: bonds (distance) C4'-P energy: -91.639 bonds (distance) P-C4' energy: -104.092 flat angles C4'-P-C4' energy: -112.455 flat angles P-C4'-P energy: -75.170 tors. eta vs tors. theta energy: -153.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1581.458184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.458184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.458184 (E_RNA) where: Base-Base interactions energy: -1073.875 where: short stacking energy: -471.263 Base-Backbone interact. energy: -2.970 local terms energy: -504.612908 where: bonds (distance) C4'-P energy: -94.368 bonds (distance) P-C4' energy: -89.182 flat angles C4'-P-C4' energy: -106.632 flat angles P-C4'-P energy: -79.038 tors. eta vs tors. theta energy: -135.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1488.707927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.707927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.707927 (E_RNA) where: Base-Base interactions energy: -1021.881 where: short stacking energy: -449.635 Base-Backbone interact. energy: 0.286 local terms energy: -467.112980 where: bonds (distance) C4'-P energy: -79.283 bonds (distance) P-C4' energy: -82.454 flat angles C4'-P-C4' energy: -115.861 flat angles P-C4'-P energy: -67.274 tors. eta vs tors. theta energy: -122.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1384.029741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.029741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.029741 (E_RNA) where: Base-Base interactions energy: -943.108 where: short stacking energy: -402.274 Base-Backbone interact. energy: -3.189 local terms energy: -437.732483 where: bonds (distance) C4'-P energy: -72.864 bonds (distance) P-C4' energy: -86.823 flat angles C4'-P-C4' energy: -95.738 flat angles P-C4'-P energy: -65.752 tors. eta vs tors. theta energy: -116.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1304.909920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.909920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.909920 (E_RNA) where: Base-Base interactions energy: -872.671 where: short stacking energy: -409.054 Base-Backbone interact. energy: -1.470 local terms energy: -430.769326 where: bonds (distance) C4'-P energy: -84.408 bonds (distance) P-C4' energy: -80.868 flat angles C4'-P-C4' energy: -95.412 flat angles P-C4'-P energy: -59.322 tors. eta vs tors. theta energy: -110.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1048.916249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.916249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.916249 (E_RNA) where: Base-Base interactions energy: -673.286 where: short stacking energy: -292.815 Base-Backbone interact. energy: -2.492 local terms energy: -373.138536 where: bonds (distance) C4'-P energy: -91.606 bonds (distance) P-C4' energy: -86.248 flat angles C4'-P-C4' energy: -90.809 flat angles P-C4'-P energy: -49.750 tors. eta vs tors. theta energy: -54.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1106.109695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.109695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.109695 (E_RNA) where: Base-Base interactions energy: -718.746 where: short stacking energy: -318.557 Base-Backbone interact. energy: 4.676 local terms energy: -392.039100 where: bonds (distance) C4'-P energy: -88.751 bonds (distance) P-C4' energy: -82.297 flat angles C4'-P-C4' energy: -94.709 flat angles P-C4'-P energy: -56.336 tors. eta vs tors. theta energy: -69.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -716.766683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.766683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.766683 (E_RNA) where: Base-Base interactions energy: -421.867 where: short stacking energy: -226.003 Base-Backbone interact. energy: 4.229 local terms energy: -299.128712 where: bonds (distance) C4'-P energy: -76.574 bonds (distance) P-C4' energy: -74.276 flat angles C4'-P-C4' energy: -66.928 flat angles P-C4'-P energy: -43.341 tors. eta vs tors. theta energy: -38.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -464.838493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.838493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.838493 (E_RNA) where: Base-Base interactions energy: -177.287 where: short stacking energy: -141.692 Base-Backbone interact. energy: 6.358 local terms energy: -293.909948 where: bonds (distance) C4'-P energy: -61.893 bonds (distance) P-C4' energy: -91.444 flat angles C4'-P-C4' energy: -78.042 flat angles P-C4'-P energy: -56.886 tors. eta vs tors. theta energy: -5.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -400.223603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.223603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.223603 (E_RNA) where: Base-Base interactions energy: -120.288 where: short stacking energy: -116.615 Base-Backbone interact. energy: 1.786 local terms energy: -281.721940 where: bonds (distance) C4'-P energy: -92.739 bonds (distance) P-C4' energy: -77.200 flat angles C4'-P-C4' energy: -69.485 flat angles P-C4'-P energy: -46.888 tors. eta vs tors. theta energy: 4.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1676.974137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.974137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.974137 (E_RNA) where: Base-Base interactions energy: -1130.186 where: short stacking energy: -492.832 Base-Backbone interact. energy: -0.959 local terms energy: -545.829517 where: bonds (distance) C4'-P energy: -98.539 bonds (distance) P-C4' energy: -97.468 flat angles C4'-P-C4' energy: -113.278 flat angles P-C4'-P energy: -76.774 tors. eta vs tors. theta energy: -159.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1574.544582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.544582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.544582 (E_RNA) where: Base-Base interactions energy: -1068.936 where: short stacking energy: -472.263 Base-Backbone interact. energy: -1.450 local terms energy: -504.157757 where: bonds (distance) C4'-P energy: -92.889 bonds (distance) P-C4' energy: -102.136 flat angles C4'-P-C4' energy: -108.617 flat angles P-C4'-P energy: -60.376 tors. eta vs tors. theta energy: -140.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1485.054836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.054836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.054836 (E_RNA) where: Base-Base interactions energy: -1012.487 where: short stacking energy: -441.536 Base-Backbone interact. energy: 0.421 local terms energy: -472.988452 where: bonds (distance) C4'-P energy: -90.107 bonds (distance) P-C4' energy: -80.451 flat angles C4'-P-C4' energy: -97.101 flat angles P-C4'-P energy: -68.075 tors. eta vs tors. theta energy: -137.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1389.536175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.536175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.536175 (E_RNA) where: Base-Base interactions energy: -947.726 where: short stacking energy: -398.532 Base-Backbone interact. energy: -1.576 local terms energy: -440.233535 where: bonds (distance) C4'-P energy: -78.873 bonds (distance) P-C4' energy: -100.679 flat angles C4'-P-C4' energy: -90.558 flat angles P-C4'-P energy: -64.939 tors. eta vs tors. theta energy: -105.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -1275.946619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.946619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.946619 (E_RNA) where: Base-Base interactions energy: -853.162 where: short stacking energy: -396.140 Base-Backbone interact. energy: 0.256 local terms energy: -423.040926 where: bonds (distance) C4'-P energy: -76.926 bonds (distance) P-C4' energy: -90.552 flat angles C4'-P-C4' energy: -91.073 flat angles P-C4'-P energy: -57.548 tors. eta vs tors. theta energy: -106.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1046.541654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.541654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.541654 (E_RNA) where: Base-Base interactions energy: -635.057 where: short stacking energy: -319.992 Base-Backbone interact. energy: 2.354 local terms energy: -413.838575 where: bonds (distance) C4'-P energy: -91.797 bonds (distance) P-C4' energy: -86.057 flat angles C4'-P-C4' energy: -97.213 flat angles P-C4'-P energy: -61.338 tors. eta vs tors. theta energy: -77.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1081.329186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.329186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.329186 (E_RNA) where: Base-Base interactions energy: -705.455 where: short stacking energy: -327.808 Base-Backbone interact. energy: -2.318 local terms energy: -373.555871 where: bonds (distance) C4'-P energy: -78.163 bonds (distance) P-C4' energy: -81.094 flat angles C4'-P-C4' energy: -85.270 flat angles P-C4'-P energy: -57.924 tors. eta vs tors. theta energy: -71.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -695.283208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.283208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.283208 (E_RNA) where: Base-Base interactions energy: -395.969 where: short stacking energy: -209.519 Base-Backbone interact. energy: 0.371 local terms energy: -299.684895 where: bonds (distance) C4'-P energy: -73.478 bonds (distance) P-C4' energy: -77.828 flat angles C4'-P-C4' energy: -75.529 flat angles P-C4'-P energy: -49.886 tors. eta vs tors. theta energy: -22.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -483.100139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.100139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.100139 (E_RNA) where: Base-Base interactions energy: -220.912 where: short stacking energy: -138.474 Base-Backbone interact. energy: 1.083 local terms energy: -263.270876 where: bonds (distance) C4'-P energy: -79.155 bonds (distance) P-C4' energy: -92.920 flat angles C4'-P-C4' energy: -53.237 flat angles P-C4'-P energy: -41.897 tors. eta vs tors. theta energy: 3.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -383.706450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.706450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.706450 (E_RNA) where: Base-Base interactions energy: -144.720 where: short stacking energy: -121.500 Base-Backbone interact. energy: -0.403 local terms energy: -238.583636 where: bonds (distance) C4'-P energy: -71.979 bonds (distance) P-C4' energy: -69.476 flat angles C4'-P-C4' energy: -66.493 flat angles P-C4'-P energy: -39.724 tors. eta vs tors. theta energy: 9.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1671.798456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.798456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.798456 (E_RNA) where: Base-Base interactions energy: -1134.020 where: short stacking energy: -512.251 Base-Backbone interact. energy: -1.786 local terms energy: -535.992071 where: bonds (distance) C4'-P energy: -93.071 bonds (distance) P-C4' energy: -108.594 flat angles C4'-P-C4' energy: -107.388 flat angles P-C4'-P energy: -70.259 tors. eta vs tors. theta energy: -156.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1582.528442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.528442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.528442 (E_RNA) where: Base-Base interactions energy: -1076.684 where: short stacking energy: -476.424 Base-Backbone interact. energy: -2.608 local terms energy: -503.235868 where: bonds (distance) C4'-P energy: -93.390 bonds (distance) P-C4' energy: -92.243 flat angles C4'-P-C4' energy: -103.532 flat angles P-C4'-P energy: -77.104 tors. eta vs tors. theta energy: -136.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1495.314330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.314330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.314330 (E_RNA) where: Base-Base interactions energy: -1010.533 where: short stacking energy: -431.239 Base-Backbone interact. energy: -2.172 local terms energy: -482.609325 where: bonds (distance) C4'-P energy: -91.577 bonds (distance) P-C4' energy: -92.980 flat angles C4'-P-C4' energy: -100.864 flat angles P-C4'-P energy: -75.580 tors. eta vs tors. theta energy: -121.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1415.244372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.244372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.244372 (E_RNA) where: Base-Base interactions energy: -974.954 where: short stacking energy: -415.292 Base-Backbone interact. energy: -2.222 local terms energy: -438.067874 where: bonds (distance) C4'-P energy: -77.223 bonds (distance) P-C4' energy: -89.104 flat angles C4'-P-C4' energy: -92.428 flat angles P-C4'-P energy: -63.664 tors. eta vs tors. theta energy: -115.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1297.692926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.692926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.692926 (E_RNA) where: Base-Base interactions energy: -868.082 where: short stacking energy: -409.514 Base-Backbone interact. energy: -5.178 local terms energy: -424.432935 where: bonds (distance) C4'-P energy: -87.554 bonds (distance) P-C4' energy: -92.653 flat angles C4'-P-C4' energy: -86.583 flat angles P-C4'-P energy: -55.303 tors. eta vs tors. theta energy: -102.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1121.697954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.697954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.697954 (E_RNA) where: Base-Base interactions energy: -721.084 where: short stacking energy: -322.150 Base-Backbone interact. energy: -2.099 local terms energy: -398.514867 where: bonds (distance) C4'-P energy: -88.426 bonds (distance) P-C4' energy: -79.519 flat angles C4'-P-C4' energy: -91.288 flat angles P-C4'-P energy: -62.998 tors. eta vs tors. theta energy: -76.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1006.406315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.406315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.406315 (E_RNA) where: Base-Base interactions energy: -665.971 where: short stacking energy: -301.784 Base-Backbone interact. energy: 2.461 local terms energy: -342.896228 where: bonds (distance) C4'-P energy: -72.106 bonds (distance) P-C4' energy: -66.987 flat angles C4'-P-C4' energy: -82.004 flat angles P-C4'-P energy: -48.800 tors. eta vs tors. theta energy: -72.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -708.141956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.141956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.141956 (E_RNA) where: Base-Base interactions energy: -402.676 where: short stacking energy: -210.947 Base-Backbone interact. energy: 3.408 local terms energy: -308.873998 where: bonds (distance) C4'-P energy: -76.469 bonds (distance) P-C4' energy: -82.652 flat angles C4'-P-C4' energy: -84.379 flat angles P-C4'-P energy: -41.911 tors. eta vs tors. theta energy: -23.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -473.614133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.614133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.614133 (E_RNA) where: Base-Base interactions energy: -220.772 where: short stacking energy: -144.664 Base-Backbone interact. energy: -1.366 local terms energy: -251.476079 where: bonds (distance) C4'-P energy: -69.498 bonds (distance) P-C4' energy: -76.142 flat angles C4'-P-C4' energy: -65.161 flat angles P-C4'-P energy: -45.915 tors. eta vs tors. theta energy: 5.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -376.402612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.402612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.402612 (E_RNA) where: Base-Base interactions energy: -136.338 where: short stacking energy: -97.986 Base-Backbone interact. energy: -0.401 local terms energy: -239.664171 where: bonds (distance) C4'-P energy: -64.639 bonds (distance) P-C4' energy: -90.131 flat angles C4'-P-C4' energy: -61.802 flat angles P-C4'-P energy: -45.388 tors. eta vs tors. theta energy: 22.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1693.050377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.050377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.050377 (E_RNA) where: Base-Base interactions energy: -1158.674 where: short stacking energy: -521.321 Base-Backbone interact. energy: -3.158 local terms energy: -531.218033 where: bonds (distance) C4'-P energy: -89.409 bonds (distance) P-C4' energy: -93.525 flat angles C4'-P-C4' energy: -113.853 flat angles P-C4'-P energy: -71.863 tors. eta vs tors. theta energy: -162.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1589.171936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.171936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.171936 (E_RNA) where: Base-Base interactions energy: -1089.406 where: short stacking energy: -480.828 Base-Backbone interact. energy: -2.658 local terms energy: -497.107567 where: bonds (distance) C4'-P energy: -97.108 bonds (distance) P-C4' energy: -96.955 flat angles C4'-P-C4' energy: -100.894 flat angles P-C4'-P energy: -64.439 tors. eta vs tors. theta energy: -137.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1514.453717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.453717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.453717 (E_RNA) where: Base-Base interactions energy: -1027.940 where: short stacking energy: -460.671 Base-Backbone interact. energy: -1.202 local terms energy: -485.311731 where: bonds (distance) C4'-P energy: -88.694 bonds (distance) P-C4' energy: -96.426 flat angles C4'-P-C4' energy: -96.246 flat angles P-C4'-P energy: -73.926 tors. eta vs tors. theta energy: -130.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1362.838626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.838626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.838626 (E_RNA) where: Base-Base interactions energy: -925.223 where: short stacking energy: -392.190 Base-Backbone interact. energy: -1.013 local terms energy: -436.601883 where: bonds (distance) C4'-P energy: -81.402 bonds (distance) P-C4' energy: -90.096 flat angles C4'-P-C4' energy: -96.896 flat angles P-C4'-P energy: -59.074 tors. eta vs tors. theta energy: -109.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1319.189810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.189810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.189810 (E_RNA) where: Base-Base interactions energy: -866.068 where: short stacking energy: -380.823 Base-Backbone interact. energy: -1.587 local terms energy: -451.534803 where: bonds (distance) C4'-P energy: -90.548 bonds (distance) P-C4' energy: -93.114 flat angles C4'-P-C4' energy: -97.648 flat angles P-C4'-P energy: -56.111 tors. eta vs tors. theta energy: -114.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1122.316937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.316937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.316937 (E_RNA) where: Base-Base interactions energy: -721.807 where: short stacking energy: -321.223 Base-Backbone interact. energy: -3.543 local terms energy: -396.967299 where: bonds (distance) C4'-P energy: -86.113 bonds (distance) P-C4' energy: -75.100 flat angles C4'-P-C4' energy: -96.596 flat angles P-C4'-P energy: -62.974 tors. eta vs tors. theta energy: -76.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -945.339284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.339284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.339284 (E_RNA) where: Base-Base interactions energy: -608.832 where: short stacking energy: -282.376 Base-Backbone interact. energy: 0.186 local terms energy: -336.693313 where: bonds (distance) C4'-P energy: -70.649 bonds (distance) P-C4' energy: -72.473 flat angles C4'-P-C4' energy: -76.138 flat angles P-C4'-P energy: -58.090 tors. eta vs tors. theta energy: -59.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -721.519573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.519573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.519573 (E_RNA) where: Base-Base interactions energy: -421.807 where: short stacking energy: -211.694 Base-Backbone interact. energy: 1.183 local terms energy: -300.895906 where: bonds (distance) C4'-P energy: -73.548 bonds (distance) P-C4' energy: -71.915 flat angles C4'-P-C4' energy: -75.416 flat angles P-C4'-P energy: -49.252 tors. eta vs tors. theta energy: -30.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -506.167567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.167567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.167567 (E_RNA) where: Base-Base interactions energy: -221.830 where: short stacking energy: -156.197 Base-Backbone interact. energy: 0.937 local terms energy: -285.274987 where: bonds (distance) C4'-P energy: -65.409 bonds (distance) P-C4' energy: -95.382 flat angles C4'-P-C4' energy: -71.397 flat angles P-C4'-P energy: -51.385 tors. eta vs tors. theta energy: -1.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -399.735247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.735247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.735247 (E_RNA) where: Base-Base interactions energy: -134.826 where: short stacking energy: -110.867 Base-Backbone interact. energy: 0.853 local terms energy: -265.761466 where: bonds (distance) C4'-P energy: -69.552 bonds (distance) P-C4' energy: -86.363 flat angles C4'-P-C4' energy: -61.714 flat angles P-C4'-P energy: -45.968 tors. eta vs tors. theta energy: -2.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1692.578022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.578022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.578022 (E_RNA) where: Base-Base interactions energy: -1154.197 where: short stacking energy: -510.083 Base-Backbone interact. energy: -0.592 local terms energy: -537.788750 where: bonds (distance) C4'-P energy: -100.399 bonds (distance) P-C4' energy: -97.288 flat angles C4'-P-C4' energy: -109.381 flat angles P-C4'-P energy: -69.691 tors. eta vs tors. theta energy: -161.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1580.102711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.102711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.102711 (E_RNA) where: Base-Base interactions energy: -1088.520 where: short stacking energy: -492.496 Base-Backbone interact. energy: 0.190 local terms energy: -491.772621 where: bonds (distance) C4'-P energy: -87.132 bonds (distance) P-C4' energy: -84.790 flat angles C4'-P-C4' energy: -106.525 flat angles P-C4'-P energy: -76.176 tors. eta vs tors. theta energy: -137.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1491.295521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.295521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.295521 (E_RNA) where: Base-Base interactions energy: -990.729 where: short stacking energy: -456.015 Base-Backbone interact. energy: -0.780 local terms energy: -499.786799 where: bonds (distance) C4'-P energy: -92.793 bonds (distance) P-C4' energy: -99.762 flat angles C4'-P-C4' energy: -101.897 flat angles P-C4'-P energy: -68.784 tors. eta vs tors. theta energy: -136.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1356.979188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.979188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.979188 (E_RNA) where: Base-Base interactions energy: -910.561 where: short stacking energy: -394.621 Base-Backbone interact. energy: -2.398 local terms energy: -444.020085 where: bonds (distance) C4'-P energy: -79.921 bonds (distance) P-C4' energy: -96.124 flat angles C4'-P-C4' energy: -96.007 flat angles P-C4'-P energy: -61.782 tors. eta vs tors. theta energy: -110.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1303.407374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.407374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.407374 (E_RNA) where: Base-Base interactions energy: -875.914 where: short stacking energy: -408.976 Base-Backbone interact. energy: 0.084 local terms energy: -427.577080 where: bonds (distance) C4'-P energy: -72.727 bonds (distance) P-C4' energy: -88.755 flat angles C4'-P-C4' energy: -95.110 flat angles P-C4'-P energy: -57.536 tors. eta vs tors. theta energy: -113.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1108.822216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.822216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.822216 (E_RNA) where: Base-Base interactions energy: -729.269 where: short stacking energy: -324.813 Base-Backbone interact. energy: -1.857 local terms energy: -377.696350 where: bonds (distance) C4'-P energy: -73.949 bonds (distance) P-C4' energy: -96.660 flat angles C4'-P-C4' energy: -73.118 flat angles P-C4'-P energy: -60.388 tors. eta vs tors. theta energy: -73.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -964.076079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.076079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.076079 (E_RNA) where: Base-Base interactions energy: -609.965 where: short stacking energy: -291.410 Base-Backbone interact. energy: -1.448 local terms energy: -352.662946 where: bonds (distance) C4'-P energy: -95.947 bonds (distance) P-C4' energy: -80.595 flat angles C4'-P-C4' energy: -76.581 flat angles P-C4'-P energy: -38.680 tors. eta vs tors. theta energy: -60.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -776.987886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.987886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.987886 (E_RNA) where: Base-Base interactions energy: -444.021 where: short stacking energy: -236.697 Base-Backbone interact. energy: 1.937 local terms energy: -334.904663 where: bonds (distance) C4'-P energy: -70.255 bonds (distance) P-C4' energy: -91.850 flat angles C4'-P-C4' energy: -75.098 flat angles P-C4'-P energy: -50.737 tors. eta vs tors. theta energy: -46.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -442.512721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.512721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.512721 (E_RNA) where: Base-Base interactions energy: -202.690 where: short stacking energy: -136.518 Base-Backbone interact. energy: 1.417 local terms energy: -241.239693 where: bonds (distance) C4'-P energy: -57.511 bonds (distance) P-C4' energy: -88.038 flat angles C4'-P-C4' energy: -54.360 flat angles P-C4'-P energy: -45.886 tors. eta vs tors. theta energy: 4.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -380.048673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.048673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.048673 (E_RNA) where: Base-Base interactions energy: -120.054 where: short stacking energy: -101.611 Base-Backbone interact. energy: -0.123 local terms energy: -259.872186 where: bonds (distance) C4'-P energy: -76.724 bonds (distance) P-C4' energy: -85.984 flat angles C4'-P-C4' energy: -61.056 flat angles P-C4'-P energy: -51.417 tors. eta vs tors. theta energy: 15.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1693.704222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.704222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.704222 (E_RNA) where: Base-Base interactions energy: -1149.162 where: short stacking energy: -508.724 Base-Backbone interact. energy: -1.766 local terms energy: -542.775588 where: bonds (distance) C4'-P energy: -95.247 bonds (distance) P-C4' energy: -103.137 flat angles C4'-P-C4' energy: -109.622 flat angles P-C4'-P energy: -72.621 tors. eta vs tors. theta energy: -162.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1605.138585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.138585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.138585 (E_RNA) where: Base-Base interactions energy: -1104.485 where: short stacking energy: -485.226 Base-Backbone interact. energy: -2.930 local terms energy: -497.723735 where: bonds (distance) C4'-P energy: -93.456 bonds (distance) P-C4' energy: -83.410 flat angles C4'-P-C4' energy: -106.362 flat angles P-C4'-P energy: -72.564 tors. eta vs tors. theta energy: -141.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1490.476686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.476686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.476686 (E_RNA) where: Base-Base interactions energy: -1006.783 where: short stacking energy: -452.711 Base-Backbone interact. energy: -0.654 local terms energy: -483.039249 where: bonds (distance) C4'-P energy: -76.543 bonds (distance) P-C4' energy: -92.593 flat angles C4'-P-C4' energy: -99.282 flat angles P-C4'-P energy: -78.635 tors. eta vs tors. theta energy: -135.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1386.403796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.403796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.403796 (E_RNA) where: Base-Base interactions energy: -940.170 where: short stacking energy: -400.324 Base-Backbone interact. energy: -0.440 local terms energy: -445.794437 where: bonds (distance) C4'-P energy: -87.164 bonds (distance) P-C4' energy: -85.901 flat angles C4'-P-C4' energy: -101.300 flat angles P-C4'-P energy: -56.653 tors. eta vs tors. theta energy: -114.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1330.602439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.602439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.602439 (E_RNA) where: Base-Base interactions energy: -863.496 where: short stacking energy: -389.722 Base-Backbone interact. energy: -3.161 local terms energy: -463.945398 where: bonds (distance) C4'-P energy: -99.016 bonds (distance) P-C4' energy: -84.251 flat angles C4'-P-C4' energy: -93.444 flat angles P-C4'-P energy: -74.002 tors. eta vs tors. theta energy: -113.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1165.838963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.838963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.838963 (E_RNA) where: Base-Base interactions energy: -751.403 where: short stacking energy: -330.720 Base-Backbone interact. energy: -1.086 local terms energy: -413.349802 where: bonds (distance) C4'-P energy: -84.449 bonds (distance) P-C4' energy: -88.982 flat angles C4'-P-C4' energy: -89.666 flat angles P-C4'-P energy: -59.204 tors. eta vs tors. theta energy: -91.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -951.326540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.326540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.326540 (E_RNA) where: Base-Base interactions energy: -604.057 where: short stacking energy: -287.195 Base-Backbone interact. energy: -1.932 local terms energy: -345.337875 where: bonds (distance) C4'-P energy: -58.248 bonds (distance) P-C4' energy: -86.772 flat angles C4'-P-C4' energy: -82.909 flat angles P-C4'-P energy: -62.674 tors. eta vs tors. theta energy: -54.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -721.953017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.953017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.953017 (E_RNA) where: Base-Base interactions energy: -411.227 where: short stacking energy: -236.650 Base-Backbone interact. energy: 1.262 local terms energy: -311.988099 where: bonds (distance) C4'-P energy: -71.186 bonds (distance) P-C4' energy: -73.768 flat angles C4'-P-C4' energy: -85.376 flat angles P-C4'-P energy: -45.069 tors. eta vs tors. theta energy: -36.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -476.374747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.374747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.374747 (E_RNA) where: Base-Base interactions energy: -211.090 where: short stacking energy: -120.849 Base-Backbone interact. energy: -1.778 local terms energy: -263.507210 where: bonds (distance) C4'-P energy: -79.564 bonds (distance) P-C4' energy: -85.461 flat angles C4'-P-C4' energy: -74.532 flat angles P-C4'-P energy: -31.809 tors. eta vs tors. theta energy: 7.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -371.307242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.307242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.307242 (E_RNA) where: Base-Base interactions energy: -121.893 where: short stacking energy: -114.609 Base-Backbone interact. energy: 14.937 local terms energy: -264.352044 where: bonds (distance) C4'-P energy: -78.008 bonds (distance) P-C4' energy: -84.601 flat angles C4'-P-C4' energy: -68.920 flat angles P-C4'-P energy: -33.339 tors. eta vs tors. theta energy: 0.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1704.277008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.277008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.277008 (E_RNA) where: Base-Base interactions energy: -1178.946 where: short stacking energy: -514.304 Base-Backbone interact. energy: -3.102 local terms energy: -522.228932 where: bonds (distance) C4'-P energy: -92.001 bonds (distance) P-C4' energy: -87.384 flat angles C4'-P-C4' energy: -107.810 flat angles P-C4'-P energy: -77.872 tors. eta vs tors. theta energy: -157.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1601.353220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.353220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.353220 (E_RNA) where: Base-Base interactions energy: -1086.998 where: short stacking energy: -478.288 Base-Backbone interact. energy: -1.070 local terms energy: -513.284974 where: bonds (distance) C4'-P energy: -92.041 bonds (distance) P-C4' energy: -88.757 flat angles C4'-P-C4' energy: -109.074 flat angles P-C4'-P energy: -79.100 tors. eta vs tors. theta energy: -144.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1483.058102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.058102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.058102 (E_RNA) where: Base-Base interactions energy: -1007.106 where: short stacking energy: -453.645 Base-Backbone interact. energy: 1.820 local terms energy: -477.772950 where: bonds (distance) C4'-P energy: -86.801 bonds (distance) P-C4' energy: -82.015 flat angles C4'-P-C4' energy: -105.646 flat angles P-C4'-P energy: -77.763 tors. eta vs tors. theta energy: -125.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1393.344479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.344479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.344479 (E_RNA) where: Base-Base interactions energy: -951.970 where: short stacking energy: -395.991 Base-Backbone interact. energy: -2.095 local terms energy: -439.279608 where: bonds (distance) C4'-P energy: -76.562 bonds (distance) P-C4' energy: -77.609 flat angles C4'-P-C4' energy: -103.368 flat angles P-C4'-P energy: -73.282 tors. eta vs tors. theta energy: -108.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1345.675929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.675929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.675929 (E_RNA) where: Base-Base interactions energy: -923.174 where: short stacking energy: -428.197 Base-Backbone interact. energy: -0.626 local terms energy: -421.876196 where: bonds (distance) C4'-P energy: -75.699 bonds (distance) P-C4' energy: -82.805 flat angles C4'-P-C4' energy: -91.458 flat angles P-C4'-P energy: -59.260 tors. eta vs tors. theta energy: -112.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1189.226347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.226347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.226347 (E_RNA) where: Base-Base interactions energy: -793.505 where: short stacking energy: -345.423 Base-Backbone interact. energy: -1.796 local terms energy: -393.925896 where: bonds (distance) C4'-P energy: -65.646 bonds (distance) P-C4' energy: -75.909 flat angles C4'-P-C4' energy: -89.666 flat angles P-C4'-P energy: -70.145 tors. eta vs tors. theta energy: -92.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -907.695178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.695178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.695178 (E_RNA) where: Base-Base interactions energy: -549.050 where: short stacking energy: -289.232 Base-Backbone interact. energy: -1.609 local terms energy: -357.035715 where: bonds (distance) C4'-P energy: -70.434 bonds (distance) P-C4' energy: -83.694 flat angles C4'-P-C4' energy: -81.994 flat angles P-C4'-P energy: -56.734 tors. eta vs tors. theta energy: -64.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -779.212010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.212010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.212010 (E_RNA) where: Base-Base interactions energy: -462.368 where: short stacking energy: -252.091 Base-Backbone interact. energy: 0.699 local terms energy: -317.542614 where: bonds (distance) C4'-P energy: -71.483 bonds (distance) P-C4' energy: -82.648 flat angles C4'-P-C4' energy: -78.249 flat angles P-C4'-P energy: -47.603 tors. eta vs tors. theta energy: -37.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -486.967383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.967383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.967383 (E_RNA) where: Base-Base interactions energy: -228.571 where: short stacking energy: -156.683 Base-Backbone interact. energy: -1.076 local terms energy: -257.319944 where: bonds (distance) C4'-P energy: -74.452 bonds (distance) P-C4' energy: -75.507 flat angles C4'-P-C4' energy: -70.343 flat angles P-C4'-P energy: -32.770 tors. eta vs tors. theta energy: -4.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -404.407234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.407234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.407234 (E_RNA) where: Base-Base interactions energy: -156.519 where: short stacking energy: -130.572 Base-Backbone interact. energy: -1.903 local terms energy: -245.985026 where: bonds (distance) C4'-P energy: -75.186 bonds (distance) P-C4' energy: -75.313 flat angles C4'-P-C4' energy: -58.135 flat angles P-C4'-P energy: -50.650 tors. eta vs tors. theta energy: 13.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1696.460118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.460118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.460118 (E_RNA) where: Base-Base interactions energy: -1166.327 where: short stacking energy: -505.559 Base-Backbone interact. energy: -3.519 local terms energy: -526.614202 where: bonds (distance) C4'-P energy: -90.832 bonds (distance) P-C4' energy: -95.704 flat angles C4'-P-C4' energy: -106.210 flat angles P-C4'-P energy: -77.546 tors. eta vs tors. theta energy: -156.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1584.167682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.167682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.167682 (E_RNA) where: Base-Base interactions energy: -1072.345 where: short stacking energy: -486.281 Base-Backbone interact. energy: -2.789 local terms energy: -509.033484 where: bonds (distance) C4'-P energy: -94.953 bonds (distance) P-C4' energy: -92.378 flat angles C4'-P-C4' energy: -116.470 flat angles P-C4'-P energy: -67.944 tors. eta vs tors. theta energy: -137.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1469.353583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.353583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.353583 (E_RNA) where: Base-Base interactions energy: -1005.812 where: short stacking energy: -438.534 Base-Backbone interact. energy: -0.765 local terms energy: -462.776110 where: bonds (distance) C4'-P energy: -94.378 bonds (distance) P-C4' energy: -87.490 flat angles C4'-P-C4' energy: -103.242 flat angles P-C4'-P energy: -59.838 tors. eta vs tors. theta energy: -117.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -1349.538151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.538151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.538151 (E_RNA) where: Base-Base interactions energy: -919.559 where: short stacking energy: -377.980 Base-Backbone interact. energy: -0.465 local terms energy: -429.513811 where: bonds (distance) C4'-P energy: -76.301 bonds (distance) P-C4' energy: -91.444 flat angles C4'-P-C4' energy: -94.787 flat angles P-C4'-P energy: -70.575 tors. eta vs tors. theta energy: -96.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1324.709680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.709680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.709680 (E_RNA) where: Base-Base interactions energy: -887.692 where: short stacking energy: -396.296 Base-Backbone interact. energy: -4.359 local terms energy: -432.658835 where: bonds (distance) C4'-P energy: -89.663 bonds (distance) P-C4' energy: -91.089 flat angles C4'-P-C4' energy: -92.120 flat angles P-C4'-P energy: -57.952 tors. eta vs tors. theta energy: -101.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1223.142787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.142787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.142787 (E_RNA) where: Base-Base interactions energy: -819.173 where: short stacking energy: -356.568 Base-Backbone interact. energy: -1.228 local terms energy: -402.741670 where: bonds (distance) C4'-P energy: -73.152 bonds (distance) P-C4' energy: -77.361 flat angles C4'-P-C4' energy: -80.301 flat angles P-C4'-P energy: -68.802 tors. eta vs tors. theta energy: -103.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -812.802281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.802281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.802281 (E_RNA) where: Base-Base interactions energy: -461.166 where: short stacking energy: -213.240 Base-Backbone interact. energy: -1.328 local terms energy: -350.308256 where: bonds (distance) C4'-P energy: -89.869 bonds (distance) P-C4' energy: -93.894 flat angles C4'-P-C4' energy: -76.957 flat angles P-C4'-P energy: -50.685 tors. eta vs tors. theta energy: -38.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -885.621920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.621920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.621920 (E_RNA) where: Base-Base interactions energy: -521.817 where: short stacking energy: -267.716 Base-Backbone interact. energy: -1.778 local terms energy: -362.026897 where: bonds (distance) C4'-P energy: -91.385 bonds (distance) P-C4' energy: -90.501 flat angles C4'-P-C4' energy: -75.182 flat angles P-C4'-P energy: -39.792 tors. eta vs tors. theta energy: -65.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -440.325477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.325477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.325477 (E_RNA) where: Base-Base interactions energy: -179.665 where: short stacking energy: -133.809 Base-Backbone interact. energy: 0.900 local terms energy: -261.560704 where: bonds (distance) C4'-P energy: -69.130 bonds (distance) P-C4' energy: -79.933 flat angles C4'-P-C4' energy: -63.914 flat angles P-C4'-P energy: -48.482 tors. eta vs tors. theta energy: -0.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -417.858830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.858830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.858830 (E_RNA) where: Base-Base interactions energy: -154.501 where: short stacking energy: -119.567 Base-Backbone interact. energy: 1.513 local terms energy: -264.870756 where: bonds (distance) C4'-P energy: -72.963 bonds (distance) P-C4' energy: -81.132 flat angles C4'-P-C4' energy: -63.393 flat angles P-C4'-P energy: -56.348 tors. eta vs tors. theta energy: 8.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1692.892318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.892318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.892318 (E_RNA) where: Base-Base interactions energy: -1142.517 where: short stacking energy: -522.210 Base-Backbone interact. energy: -2.478 local terms energy: -547.896881 where: bonds (distance) C4'-P energy: -94.421 bonds (distance) P-C4' energy: -97.456 flat angles C4'-P-C4' energy: -110.607 flat angles P-C4'-P energy: -85.769 tors. eta vs tors. theta energy: -159.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1612.972244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.972244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.972244 (E_RNA) where: Base-Base interactions energy: -1106.983 where: short stacking energy: -481.878 Base-Backbone interact. energy: 0.186 local terms energy: -506.175721 where: bonds (distance) C4'-P energy: -100.689 bonds (distance) P-C4' energy: -87.557 flat angles C4'-P-C4' energy: -107.694 flat angles P-C4'-P energy: -76.549 tors. eta vs tors. theta energy: -133.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1458.533976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.533976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.533976 (E_RNA) where: Base-Base interactions energy: -996.285 where: short stacking energy: -429.741 Base-Backbone interact. energy: -1.527 local terms energy: -460.722494 where: bonds (distance) C4'-P energy: -80.658 bonds (distance) P-C4' energy: -92.272 flat angles C4'-P-C4' energy: -103.677 flat angles P-C4'-P energy: -58.839 tors. eta vs tors. theta energy: -125.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1354.676249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.676249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.676249 (E_RNA) where: Base-Base interactions energy: -896.672 where: short stacking energy: -405.320 Base-Backbone interact. energy: -2.051 local terms energy: -455.952686 where: bonds (distance) C4'-P energy: -93.927 bonds (distance) P-C4' energy: -85.704 flat angles C4'-P-C4' energy: -99.905 flat angles P-C4'-P energy: -73.618 tors. eta vs tors. theta energy: -102.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1320.540566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.540566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.540566 (E_RNA) where: Base-Base interactions energy: -879.653 where: short stacking energy: -415.135 Base-Backbone interact. energy: -1.807 local terms energy: -439.081395 where: bonds (distance) C4'-P energy: -75.340 bonds (distance) P-C4' energy: -89.312 flat angles C4'-P-C4' energy: -94.108 flat angles P-C4'-P energy: -66.070 tors. eta vs tors. theta energy: -114.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1235.408374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.408374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.408374 (E_RNA) where: Base-Base interactions energy: -806.251 where: short stacking energy: -382.430 Base-Backbone interact. energy: -1.829 local terms energy: -427.329334 where: bonds (distance) C4'-P energy: -77.011 bonds (distance) P-C4' energy: -90.584 flat angles C4'-P-C4' energy: -90.909 flat angles P-C4'-P energy: -55.037 tors. eta vs tors. theta energy: -113.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -827.584131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.584131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.584131 (E_RNA) where: Base-Base interactions energy: -463.166 where: short stacking energy: -245.261 Base-Backbone interact. energy: 3.164 local terms energy: -367.582462 where: bonds (distance) C4'-P energy: -97.012 bonds (distance) P-C4' energy: -105.040 flat angles C4'-P-C4' energy: -73.767 flat angles P-C4'-P energy: -57.516 tors. eta vs tors. theta energy: -34.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -878.382649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.382649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.382649 (E_RNA) where: Base-Base interactions energy: -526.615 where: short stacking energy: -252.724 Base-Backbone interact. energy: -1.305 local terms energy: -350.462495 where: bonds (distance) C4'-P energy: -87.976 bonds (distance) P-C4' energy: -67.077 flat angles C4'-P-C4' energy: -76.826 flat angles P-C4'-P energy: -55.767 tors. eta vs tors. theta energy: -62.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -450.718420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.718420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.718420 (E_RNA) where: Base-Base interactions energy: -176.508 where: short stacking energy: -157.356 Base-Backbone interact. energy: 2.255 local terms energy: -276.464668 where: bonds (distance) C4'-P energy: -72.697 bonds (distance) P-C4' energy: -82.467 flat angles C4'-P-C4' energy: -65.968 flat angles P-C4'-P energy: -45.633 tors. eta vs tors. theta energy: -9.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -397.229077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.229077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.229077 (E_RNA) where: Base-Base interactions energy: -154.258 where: short stacking energy: -150.299 Base-Backbone interact. energy: 0.992 local terms energy: -243.963588 where: bonds (distance) C4'-P energy: -49.089 bonds (distance) P-C4' energy: -72.117 flat angles C4'-P-C4' energy: -78.439 flat angles P-C4'-P energy: -38.203 tors. eta vs tors. theta energy: -6.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1691.664492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.664492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.664492 (E_RNA) where: Base-Base interactions energy: -1148.096 where: short stacking energy: -516.008 Base-Backbone interact. energy: -2.945 local terms energy: -540.623642 where: bonds (distance) C4'-P energy: -90.998 bonds (distance) P-C4' energy: -93.434 flat angles C4'-P-C4' energy: -109.492 flat angles P-C4'-P energy: -86.465 tors. eta vs tors. theta energy: -160.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1586.835523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.835523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.835523 (E_RNA) where: Base-Base interactions energy: -1085.065 where: short stacking energy: -477.866 Base-Backbone interact. energy: -3.949 local terms energy: -497.821317 where: bonds (distance) C4'-P energy: -89.249 bonds (distance) P-C4' energy: -90.744 flat angles C4'-P-C4' energy: -107.361 flat angles P-C4'-P energy: -73.606 tors. eta vs tors. theta energy: -136.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1494.037497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.037497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.037497 (E_RNA) where: Base-Base interactions energy: -1022.596 where: short stacking energy: -472.235 Base-Backbone interact. energy: -0.557 local terms energy: -470.885270 where: bonds (distance) C4'-P energy: -83.635 bonds (distance) P-C4' energy: -94.130 flat angles C4'-P-C4' energy: -102.216 flat angles P-C4'-P energy: -56.963 tors. eta vs tors. theta energy: -133.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1396.258850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.258850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.258850 (E_RNA) where: Base-Base interactions energy: -940.633 where: short stacking energy: -415.973 Base-Backbone interact. energy: -1.913 local terms energy: -453.713164 where: bonds (distance) C4'-P energy: -83.831 bonds (distance) P-C4' energy: -97.914 flat angles C4'-P-C4' energy: -95.310 flat angles P-C4'-P energy: -64.466 tors. eta vs tors. theta energy: -112.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -1333.154933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.154933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.154933 (E_RNA) where: Base-Base interactions energy: -876.357 where: short stacking energy: -401.346 Base-Backbone interact. energy: -1.400 local terms energy: -455.398209 where: bonds (distance) C4'-P energy: -83.904 bonds (distance) P-C4' energy: -85.036 flat angles C4'-P-C4' energy: -99.856 flat angles P-C4'-P energy: -68.601 tors. eta vs tors. theta energy: -118.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1234.492812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.492812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.492812 (E_RNA) where: Base-Base interactions energy: -806.377 where: short stacking energy: -365.800 Base-Backbone interact. energy: -1.481 local terms energy: -426.634364 where: bonds (distance) C4'-P energy: -92.751 bonds (distance) P-C4' energy: -73.526 flat angles C4'-P-C4' energy: -89.200 flat angles P-C4'-P energy: -60.955 tors. eta vs tors. theta energy: -110.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -866.140910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.140910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.140910 (E_RNA) where: Base-Base interactions energy: -523.291 where: short stacking energy: -268.942 Base-Backbone interact. energy: 0.956 local terms energy: -343.805913 where: bonds (distance) C4'-P energy: -85.689 bonds (distance) P-C4' energy: -81.878 flat angles C4'-P-C4' energy: -69.290 flat angles P-C4'-P energy: -65.739 tors. eta vs tors. theta energy: -41.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -771.477433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.477433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.477433 (E_RNA) where: Base-Base interactions energy: -450.145 where: short stacking energy: -248.164 Base-Backbone interact. energy: 4.479 local terms energy: -325.811100 where: bonds (distance) C4'-P energy: -82.115 bonds (distance) P-C4' energy: -76.064 flat angles C4'-P-C4' energy: -82.957 flat angles P-C4'-P energy: -45.795 tors. eta vs tors. theta energy: -38.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -410.390306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.390306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.390306 (E_RNA) where: Base-Base interactions energy: -142.418 where: short stacking energy: -135.477 Base-Backbone interact. energy: -1.615 local terms energy: -266.357298 where: bonds (distance) C4'-P energy: -84.116 bonds (distance) P-C4' energy: -80.820 flat angles C4'-P-C4' energy: -61.330 flat angles P-C4'-P energy: -44.652 tors. eta vs tors. theta energy: 4.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -400.077771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.077771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.077771 (E_RNA) where: Base-Base interactions energy: -174.449 where: short stacking energy: -108.508 Base-Backbone interact. energy: -1.559 local terms energy: -224.069052 where: bonds (distance) C4'-P energy: -65.356 bonds (distance) P-C4' energy: -84.360 flat angles C4'-P-C4' energy: -48.066 flat angles P-C4'-P energy: -26.166 tors. eta vs tors. theta energy: -0.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1704.980647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.980647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.980647 (E_RNA) where: Base-Base interactions energy: -1157.593 where: short stacking energy: -532.925 Base-Backbone interact. energy: -1.118 local terms energy: -546.270195 where: bonds (distance) C4'-P energy: -96.020 bonds (distance) P-C4' energy: -97.596 flat angles C4'-P-C4' energy: -106.289 flat angles P-C4'-P energy: -80.371 tors. eta vs tors. theta energy: -165.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1590.426509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.426509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.426509 (E_RNA) where: Base-Base interactions energy: -1094.159 where: short stacking energy: -477.852 Base-Backbone interact. energy: -2.624 local terms energy: -493.642695 where: bonds (distance) C4'-P energy: -95.447 bonds (distance) P-C4' energy: -91.430 flat angles C4'-P-C4' energy: -91.873 flat angles P-C4'-P energy: -72.872 tors. eta vs tors. theta energy: -142.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1488.194057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.194057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.194057 (E_RNA) where: Base-Base interactions energy: -1009.794 where: short stacking energy: -443.749 Base-Backbone interact. energy: -5.017 local terms energy: -473.383063 where: bonds (distance) C4'-P energy: -90.215 bonds (distance) P-C4' energy: -86.901 flat angles C4'-P-C4' energy: -105.901 flat angles P-C4'-P energy: -69.449 tors. eta vs tors. theta energy: -120.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1378.782509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.782509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.782509 (E_RNA) where: Base-Base interactions energy: -931.298 where: short stacking energy: -444.275 Base-Backbone interact. energy: 1.583 local terms energy: -449.067651 where: bonds (distance) C4'-P energy: -76.800 bonds (distance) P-C4' energy: -88.457 flat angles C4'-P-C4' energy: -101.219 flat angles P-C4'-P energy: -60.391 tors. eta vs tors. theta energy: -122.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1351.699467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.699467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.699467 (E_RNA) where: Base-Base interactions energy: -937.283 where: short stacking energy: -385.641 Base-Backbone interact. energy: -2.303 local terms energy: -412.112785 where: bonds (distance) C4'-P energy: -77.208 bonds (distance) P-C4' energy: -93.145 flat angles C4'-P-C4' energy: -85.321 flat angles P-C4'-P energy: -58.910 tors. eta vs tors. theta energy: -97.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1203.907379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.907379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.907379 (E_RNA) where: Base-Base interactions energy: -791.630 where: short stacking energy: -380.156 Base-Backbone interact. energy: -1.520 local terms energy: -410.757283 where: bonds (distance) C4'-P energy: -85.547 bonds (distance) P-C4' energy: -85.853 flat angles C4'-P-C4' energy: -85.590 flat angles P-C4'-P energy: -62.307 tors. eta vs tors. theta energy: -91.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -893.790922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.790922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.790922 (E_RNA) where: Base-Base interactions energy: -550.995 where: short stacking energy: -260.222 Base-Backbone interact. energy: -1.383 local terms energy: -341.413404 where: bonds (distance) C4'-P energy: -55.463 bonds (distance) P-C4' energy: -89.244 flat angles C4'-P-C4' energy: -83.004 flat angles P-C4'-P energy: -56.991 tors. eta vs tors. theta energy: -56.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -805.941534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.941534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.941534 (E_RNA) where: Base-Base interactions energy: -487.984 where: short stacking energy: -236.170 Base-Backbone interact. energy: 4.455 local terms energy: -322.412848 where: bonds (distance) C4'-P energy: -80.706 bonds (distance) P-C4' energy: -75.313 flat angles C4'-P-C4' energy: -87.829 flat angles P-C4'-P energy: -50.540 tors. eta vs tors. theta energy: -28.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -425.726199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.726199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.726199 (E_RNA) where: Base-Base interactions energy: -175.352 where: short stacking energy: -153.272 Base-Backbone interact. energy: -0.136 local terms energy: -250.238254 where: bonds (distance) C4'-P energy: -77.670 bonds (distance) P-C4' energy: -75.341 flat angles C4'-P-C4' energy: -67.349 flat angles P-C4'-P energy: -36.391 tors. eta vs tors. theta energy: 6.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -472.103902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.103902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.103902 (E_RNA) where: Base-Base interactions energy: -217.742 where: short stacking energy: -137.530 Base-Backbone interact. energy: -2.091 local terms energy: -252.271421 where: bonds (distance) C4'-P energy: -72.298 bonds (distance) P-C4' energy: -79.544 flat angles C4'-P-C4' energy: -65.729 flat angles P-C4'-P energy: -44.390 tors. eta vs tors. theta energy: 9.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1711.029672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.029672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.029672 (E_RNA) where: Base-Base interactions energy: -1168.870 where: short stacking energy: -518.003 Base-Backbone interact. energy: -1.789 local terms energy: -540.370504 where: bonds (distance) C4'-P energy: -78.226 bonds (distance) P-C4' energy: -95.882 flat angles C4'-P-C4' energy: -121.179 flat angles P-C4'-P energy: -74.358 tors. eta vs tors. theta energy: -170.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1618.860427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.860427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.860427 (E_RNA) where: Base-Base interactions energy: -1108.690 where: short stacking energy: -501.307 Base-Backbone interact. energy: -1.759 local terms energy: -508.412044 where: bonds (distance) C4'-P energy: -89.741 bonds (distance) P-C4' energy: -94.832 flat angles C4'-P-C4' energy: -107.534 flat angles P-C4'-P energy: -74.577 tors. eta vs tors. theta energy: -141.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1454.651944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.651944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.651944 (E_RNA) where: Base-Base interactions energy: -974.276 where: short stacking energy: -440.541 Base-Backbone interact. energy: -3.539 local terms energy: -476.837089 where: bonds (distance) C4'-P energy: -93.090 bonds (distance) P-C4' energy: -84.808 flat angles C4'-P-C4' energy: -103.302 flat angles P-C4'-P energy: -61.854 tors. eta vs tors. theta energy: -133.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1431.894334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.894334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.894334 (E_RNA) where: Base-Base interactions energy: -971.575 where: short stacking energy: -420.610 Base-Backbone interact. energy: -2.852 local terms energy: -457.466898 where: bonds (distance) C4'-P energy: -92.934 bonds (distance) P-C4' energy: -79.237 flat angles C4'-P-C4' energy: -97.255 flat angles P-C4'-P energy: -64.861 tors. eta vs tors. theta energy: -123.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1388.126488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.126488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.126488 (E_RNA) where: Base-Base interactions energy: -935.797 where: short stacking energy: -430.146 Base-Backbone interact. energy: -0.552 local terms energy: -451.777600 where: bonds (distance) C4'-P energy: -76.847 bonds (distance) P-C4' energy: -88.364 flat angles C4'-P-C4' energy: -94.224 flat angles P-C4'-P energy: -67.072 tors. eta vs tors. theta energy: -125.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -1170.634908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.634908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.634908 (E_RNA) where: Base-Base interactions energy: -745.115 where: short stacking energy: -341.396 Base-Backbone interact. energy: -0.899 local terms energy: -424.620981 where: bonds (distance) C4'-P energy: -87.246 bonds (distance) P-C4' energy: -85.019 flat angles C4'-P-C4' energy: -84.405 flat angles P-C4'-P energy: -70.392 tors. eta vs tors. theta energy: -97.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -943.782562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.782562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.782562 (E_RNA) where: Base-Base interactions energy: -563.882 where: short stacking energy: -263.260 Base-Backbone interact. energy: -0.792 local terms energy: -379.109118 where: bonds (distance) C4'-P energy: -90.599 bonds (distance) P-C4' energy: -79.994 flat angles C4'-P-C4' energy: -86.794 flat angles P-C4'-P energy: -43.513 tors. eta vs tors. theta energy: -78.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -718.169358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.169358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.169358 (E_RNA) where: Base-Base interactions energy: -394.117 where: short stacking energy: -216.675 Base-Backbone interact. energy: -0.872 local terms energy: -323.180170 where: bonds (distance) C4'-P energy: -76.105 bonds (distance) P-C4' energy: -84.003 flat angles C4'-P-C4' energy: -80.774 flat angles P-C4'-P energy: -40.418 tors. eta vs tors. theta energy: -41.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -546.769895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.769895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.769895 (E_RNA) where: Base-Base interactions energy: -259.509 where: short stacking energy: -134.621 Base-Backbone interact. energy: 7.448 local terms energy: -294.707982 where: bonds (distance) C4'-P energy: -75.059 bonds (distance) P-C4' energy: -94.170 flat angles C4'-P-C4' energy: -71.443 flat angles P-C4'-P energy: -49.740 tors. eta vs tors. theta energy: -4.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -386.342012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.342012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.342012 (E_RNA) where: Base-Base interactions energy: -119.253 where: short stacking energy: -111.530 Base-Backbone interact. energy: 4.508 local terms energy: -271.596643 where: bonds (distance) C4'-P energy: -81.758 bonds (distance) P-C4' energy: -74.363 flat angles C4'-P-C4' energy: -78.638 flat angles P-C4'-P energy: -46.212 tors. eta vs tors. theta energy: 9.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1702.358769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.358769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.358769 (E_RNA) where: Base-Base interactions energy: -1182.400 where: short stacking energy: -541.645 Base-Backbone interact. energy: -2.160 local terms energy: -517.798431 where: bonds (distance) C4'-P energy: -80.726 bonds (distance) P-C4' energy: -94.511 flat angles C4'-P-C4' energy: -110.219 flat angles P-C4'-P energy: -62.406 tors. eta vs tors. theta energy: -169.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1562.050099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.050099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.050099 (E_RNA) where: Base-Base interactions energy: -1077.419 where: short stacking energy: -460.692 Base-Backbone interact. energy: -1.594 local terms energy: -483.037048 where: bonds (distance) C4'-P energy: -90.830 bonds (distance) P-C4' energy: -97.032 flat angles C4'-P-C4' energy: -99.101 flat angles P-C4'-P energy: -73.472 tors. eta vs tors. theta energy: -122.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1443.753325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.753325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.753325 (E_RNA) where: Base-Base interactions energy: -980.034 where: short stacking energy: -449.784 Base-Backbone interact. energy: 0.130 local terms energy: -463.849755 where: bonds (distance) C4'-P energy: -91.952 bonds (distance) P-C4' energy: -85.007 flat angles C4'-P-C4' energy: -93.032 flat angles P-C4'-P energy: -62.616 tors. eta vs tors. theta energy: -131.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1437.374125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.374125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.374125 (E_RNA) where: Base-Base interactions energy: -987.178 where: short stacking energy: -448.849 Base-Backbone interact. energy: -0.756 local terms energy: -449.440208 where: bonds (distance) C4'-P energy: -83.405 bonds (distance) P-C4' energy: -75.245 flat angles C4'-P-C4' energy: -101.348 flat angles P-C4'-P energy: -66.548 tors. eta vs tors. theta energy: -122.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1346.177531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.177531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.177531 (E_RNA) where: Base-Base interactions energy: -892.108 where: short stacking energy: -402.470 Base-Backbone interact. energy: -1.209 local terms energy: -452.859717 where: bonds (distance) C4'-P energy: -76.618 bonds (distance) P-C4' energy: -89.823 flat angles C4'-P-C4' energy: -99.956 flat angles P-C4'-P energy: -75.539 tors. eta vs tors. theta energy: -110.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1142.738663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.738663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.738663 (E_RNA) where: Base-Base interactions energy: -754.638 where: short stacking energy: -342.846 Base-Backbone interact. energy: -1.895 local terms energy: -386.206277 where: bonds (distance) C4'-P energy: -76.784 bonds (distance) P-C4' energy: -74.945 flat angles C4'-P-C4' energy: -92.048 flat angles P-C4'-P energy: -55.048 tors. eta vs tors. theta energy: -87.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -945.623167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.623167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.623167 (E_RNA) where: Base-Base interactions energy: -594.262 where: short stacking energy: -274.689 Base-Backbone interact. energy: 4.023 local terms energy: -355.384138 where: bonds (distance) C4'-P energy: -76.490 bonds (distance) P-C4' energy: -91.534 flat angles C4'-P-C4' energy: -79.632 flat angles P-C4'-P energy: -47.074 tors. eta vs tors. theta energy: -60.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -701.404390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.404390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.404390 (E_RNA) where: Base-Base interactions energy: -400.366 where: short stacking energy: -200.064 Base-Backbone interact. energy: 2.883 local terms energy: -303.921618 where: bonds (distance) C4'-P energy: -83.016 bonds (distance) P-C4' energy: -82.656 flat angles C4'-P-C4' energy: -74.739 flat angles P-C4'-P energy: -44.099 tors. eta vs tors. theta energy: -19.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -576.217300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.217300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.217300 (E_RNA) where: Base-Base interactions energy: -286.897 where: short stacking energy: -183.847 Base-Backbone interact. energy: -0.263 local terms energy: -289.057261 where: bonds (distance) C4'-P energy: -69.785 bonds (distance) P-C4' energy: -83.957 flat angles C4'-P-C4' energy: -74.978 flat angles P-C4'-P energy: -39.471 tors. eta vs tors. theta energy: -20.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -376.984180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.984180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.984180 (E_RNA) where: Base-Base interactions energy: -127.484 where: short stacking energy: -88.909 Base-Backbone interact. energy: 2.273 local terms energy: -251.773009 where: bonds (distance) C4'-P energy: -89.811 bonds (distance) P-C4' energy: -73.562 flat angles C4'-P-C4' energy: -65.183 flat angles P-C4'-P energy: -47.971 tors. eta vs tors. theta energy: 24.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1702.979020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.979020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.979020 (E_RNA) where: Base-Base interactions energy: -1161.945 where: short stacking energy: -519.419 Base-Backbone interact. energy: -0.571 local terms energy: -540.462503 where: bonds (distance) C4'-P energy: -89.083 bonds (distance) P-C4' energy: -97.310 flat angles C4'-P-C4' energy: -113.390 flat angles P-C4'-P energy: -71.097 tors. eta vs tors. theta energy: -169.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1546.617833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.617833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.617833 (E_RNA) where: Base-Base interactions energy: -1052.064 where: short stacking energy: -452.050 Base-Backbone interact. energy: -2.105 local terms energy: -492.448667 where: bonds (distance) C4'-P energy: -87.676 bonds (distance) P-C4' energy: -97.721 flat angles C4'-P-C4' energy: -104.901 flat angles P-C4'-P energy: -73.739 tors. eta vs tors. theta energy: -128.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1481.454213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.454213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.454213 (E_RNA) where: Base-Base interactions energy: -998.911 where: short stacking energy: -429.154 Base-Backbone interact. energy: -0.092 local terms energy: -482.450539 where: bonds (distance) C4'-P energy: -92.119 bonds (distance) P-C4' energy: -84.675 flat angles C4'-P-C4' energy: -100.265 flat angles P-C4'-P energy: -65.501 tors. eta vs tors. theta energy: -139.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1383.754262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.754262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.754262 (E_RNA) where: Base-Base interactions energy: -955.993 where: short stacking energy: -414.097 Base-Backbone interact. energy: -1.860 local terms energy: -425.901648 where: bonds (distance) C4'-P energy: -70.944 bonds (distance) P-C4' energy: -85.311 flat angles C4'-P-C4' energy: -97.164 flat angles P-C4'-P energy: -67.692 tors. eta vs tors. theta energy: -104.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1315.728465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.728465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.728465 (E_RNA) where: Base-Base interactions energy: -869.440 where: short stacking energy: -384.418 Base-Backbone interact. energy: 1.048 local terms energy: -447.336423 where: bonds (distance) C4'-P energy: -81.089 bonds (distance) P-C4' energy: -93.932 flat angles C4'-P-C4' energy: -97.792 flat angles P-C4'-P energy: -64.024 tors. eta vs tors. theta energy: -110.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1132.103602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.103602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.103602 (E_RNA) where: Base-Base interactions energy: -735.421 where: short stacking energy: -329.130 Base-Backbone interact. energy: -2.505 local terms energy: -394.177575 where: bonds (distance) C4'-P energy: -81.409 bonds (distance) P-C4' energy: -102.255 flat angles C4'-P-C4' energy: -86.192 flat angles P-C4'-P energy: -49.966 tors. eta vs tors. theta energy: -74.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -970.037809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.037809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.037809 (E_RNA) where: Base-Base interactions energy: -613.919 where: short stacking energy: -280.920 Base-Backbone interact. energy: -2.025 local terms energy: -354.093630 where: bonds (distance) C4'-P energy: -90.697 bonds (distance) P-C4' energy: -87.546 flat angles C4'-P-C4' energy: -86.668 flat angles P-C4'-P energy: -45.527 tors. eta vs tors. theta energy: -43.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -688.420812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.420812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.420812 (E_RNA) where: Base-Base interactions energy: -386.964 where: short stacking energy: -207.506 Base-Backbone interact. energy: 1.348 local terms energy: -302.805330 where: bonds (distance) C4'-P energy: -74.317 bonds (distance) P-C4' energy: -73.394 flat angles C4'-P-C4' energy: -74.048 flat angles P-C4'-P energy: -50.449 tors. eta vs tors. theta energy: -30.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -616.526150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.526150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.526150 (E_RNA) where: Base-Base interactions energy: -317.546 where: short stacking energy: -180.417 Base-Backbone interact. energy: -1.265 local terms energy: -297.714979 where: bonds (distance) C4'-P energy: -66.424 bonds (distance) P-C4' energy: -86.521 flat angles C4'-P-C4' energy: -85.818 flat angles P-C4'-P energy: -34.354 tors. eta vs tors. theta energy: -24.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -380.494705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.494705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.494705 (E_RNA) where: Base-Base interactions energy: -141.687 where: short stacking energy: -129.131 Base-Backbone interact. energy: 2.973 local terms energy: -241.781048 where: bonds (distance) C4'-P energy: -56.172 bonds (distance) P-C4' energy: -75.479 flat angles C4'-P-C4' energy: -72.981 flat angles P-C4'-P energy: -48.154 tors. eta vs tors. theta energy: 11.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1721.215799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.215799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.215799 (E_RNA) where: Base-Base interactions energy: -1172.820 where: short stacking energy: -532.671 Base-Backbone interact. energy: 0.744 local terms energy: -549.139770 where: bonds (distance) C4'-P energy: -96.720 bonds (distance) P-C4' energy: -91.695 flat angles C4'-P-C4' energy: -114.913 flat angles P-C4'-P energy: -80.659 tors. eta vs tors. theta energy: -165.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1562.541957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.541957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.541957 (E_RNA) where: Base-Base interactions energy: -1071.885 where: short stacking energy: -469.013 Base-Backbone interact. energy: -0.888 local terms energy: -489.769179 where: bonds (distance) C4'-P energy: -99.082 bonds (distance) P-C4' energy: -89.157 flat angles C4'-P-C4' energy: -104.577 flat angles P-C4'-P energy: -58.895 tors. eta vs tors. theta energy: -138.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1509.649710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.649710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.649710 (E_RNA) where: Base-Base interactions energy: -1029.839 where: short stacking energy: -456.110 Base-Backbone interact. energy: -0.737 local terms energy: -479.074485 where: bonds (distance) C4'-P energy: -77.587 bonds (distance) P-C4' energy: -96.584 flat angles C4'-P-C4' energy: -107.837 flat angles P-C4'-P energy: -71.174 tors. eta vs tors. theta energy: -125.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1405.001950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.001950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.001950 (E_RNA) where: Base-Base interactions energy: -941.185 where: short stacking energy: -413.512 Base-Backbone interact. energy: -3.761 local terms energy: -460.055681 where: bonds (distance) C4'-P energy: -92.776 bonds (distance) P-C4' energy: -93.025 flat angles C4'-P-C4' energy: -97.426 flat angles P-C4'-P energy: -67.992 tors. eta vs tors. theta energy: -108.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -1297.021930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.021930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.021930 (E_RNA) where: Base-Base interactions energy: -885.205 where: short stacking energy: -375.811 Base-Backbone interact. energy: -2.387 local terms energy: -409.429222 where: bonds (distance) C4'-P energy: -77.122 bonds (distance) P-C4' energy: -80.944 flat angles C4'-P-C4' energy: -91.930 flat angles P-C4'-P energy: -54.084 tors. eta vs tors. theta energy: -105.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1151.877705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.877705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.877705 (E_RNA) where: Base-Base interactions energy: -756.624 where: short stacking energy: -341.415 Base-Backbone interact. energy: -1.900 local terms energy: -393.353455 where: bonds (distance) C4'-P energy: -75.604 bonds (distance) P-C4' energy: -92.183 flat angles C4'-P-C4' energy: -90.787 flat angles P-C4'-P energy: -59.339 tors. eta vs tors. theta energy: -75.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -967.327042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.327042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.327042 (E_RNA) where: Base-Base interactions energy: -606.798 where: short stacking energy: -298.259 Base-Backbone interact. energy: 1.436 local terms energy: -361.964487 where: bonds (distance) C4'-P energy: -75.675 bonds (distance) P-C4' energy: -88.535 flat angles C4'-P-C4' energy: -75.304 flat angles P-C4'-P energy: -55.085 tors. eta vs tors. theta energy: -67.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -658.407122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.407122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.407122 (E_RNA) where: Base-Base interactions energy: -361.165 where: short stacking energy: -203.303 Base-Backbone interact. energy: 0.453 local terms energy: -297.695129 where: bonds (distance) C4'-P energy: -77.127 bonds (distance) P-C4' energy: -74.714 flat angles C4'-P-C4' energy: -71.236 flat angles P-C4'-P energy: -46.843 tors. eta vs tors. theta energy: -27.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -681.216466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.216466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.216466 (E_RNA) where: Base-Base interactions energy: -389.715 where: short stacking energy: -222.589 Base-Backbone interact. energy: 0.658 local terms energy: -292.160161 where: bonds (distance) C4'-P energy: -79.229 bonds (distance) P-C4' energy: -76.204 flat angles C4'-P-C4' energy: -61.289 flat angles P-C4'-P energy: -28.640 tors. eta vs tors. theta energy: -46.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -430.052918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.052918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.052918 (E_RNA) where: Base-Base interactions energy: -190.233 where: short stacking energy: -151.679 Base-Backbone interact. energy: 5.585 local terms energy: -245.405610 where: bonds (distance) C4'-P energy: -63.742 bonds (distance) P-C4' energy: -77.614 flat angles C4'-P-C4' energy: -69.048 flat angles P-C4'-P energy: -42.097 tors. eta vs tors. theta energy: 7.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1693.728637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.728637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.728637 (E_RNA) where: Base-Base interactions energy: -1141.563 where: short stacking energy: -519.470 Base-Backbone interact. energy: -2.547 local terms energy: -549.617936 where: bonds (distance) C4'-P energy: -94.991 bonds (distance) P-C4' energy: -103.191 flat angles C4'-P-C4' energy: -112.347 flat angles P-C4'-P energy: -72.639 tors. eta vs tors. theta energy: -166.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1584.352678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.352678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.352678 (E_RNA) where: Base-Base interactions energy: -1095.823 where: short stacking energy: -479.682 Base-Backbone interact. energy: -0.723 local terms energy: -487.806616 where: bonds (distance) C4'-P energy: -89.083 bonds (distance) P-C4' energy: -90.391 flat angles C4'-P-C4' energy: -99.620 flat angles P-C4'-P energy: -68.084 tors. eta vs tors. theta energy: -140.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1509.826537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.826537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.826537 (E_RNA) where: Base-Base interactions energy: -1032.151 where: short stacking energy: -456.952 Base-Backbone interact. energy: -0.523 local terms energy: -477.152774 where: bonds (distance) C4'-P energy: -91.525 bonds (distance) P-C4' energy: -85.886 flat angles C4'-P-C4' energy: -101.873 flat angles P-C4'-P energy: -69.386 tors. eta vs tors. theta energy: -128.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1404.292831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.292831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.292831 (E_RNA) where: Base-Base interactions energy: -936.662 where: short stacking energy: -433.167 Base-Backbone interact. energy: -1.698 local terms energy: -465.932327 where: bonds (distance) C4'-P energy: -85.278 bonds (distance) P-C4' energy: -81.829 flat angles C4'-P-C4' energy: -103.744 flat angles P-C4'-P energy: -67.495 tors. eta vs tors. theta energy: -127.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1336.145566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.145566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.145566 (E_RNA) where: Base-Base interactions energy: -905.610 where: short stacking energy: -382.692 Base-Backbone interact. energy: -1.781 local terms energy: -428.754169 where: bonds (distance) C4'-P energy: -83.853 bonds (distance) P-C4' energy: -83.726 flat angles C4'-P-C4' energy: -94.221 flat angles P-C4'-P energy: -56.961 tors. eta vs tors. theta energy: -109.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1140.021439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.021439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.021439 (E_RNA) where: Base-Base interactions energy: -781.286 where: short stacking energy: -342.506 Base-Backbone interact. energy: -1.803 local terms energy: -356.932287 where: bonds (distance) C4'-P energy: -69.098 bonds (distance) P-C4' energy: -79.727 flat angles C4'-P-C4' energy: -73.617 flat angles P-C4'-P energy: -52.556 tors. eta vs tors. theta energy: -81.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -969.827736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.827736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.827736 (E_RNA) where: Base-Base interactions energy: -607.976 where: short stacking energy: -280.199 Base-Backbone interact. energy: 1.260 local terms energy: -363.112002 where: bonds (distance) C4'-P energy: -74.465 bonds (distance) P-C4' energy: -93.468 flat angles C4'-P-C4' energy: -86.325 flat angles P-C4'-P energy: -54.484 tors. eta vs tors. theta energy: -54.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -662.673599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.673599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.673599 (E_RNA) where: Base-Base interactions energy: -349.502 where: short stacking energy: -180.778 Base-Backbone interact. energy: -2.649 local terms energy: -310.522872 where: bonds (distance) C4'-P energy: -56.097 bonds (distance) P-C4' energy: -89.930 flat angles C4'-P-C4' energy: -73.342 flat angles P-C4'-P energy: -53.956 tors. eta vs tors. theta energy: -37.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -651.647831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.647831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.647831 (E_RNA) where: Base-Base interactions energy: -358.108 where: short stacking energy: -179.446 Base-Backbone interact. energy: -1.184 local terms energy: -292.355706 where: bonds (distance) C4'-P energy: -73.234 bonds (distance) P-C4' energy: -85.267 flat angles C4'-P-C4' energy: -68.289 flat angles P-C4'-P energy: -43.066 tors. eta vs tors. theta energy: -22.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -400.084539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.084539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.084539 (E_RNA) where: Base-Base interactions energy: -127.044 where: short stacking energy: -116.978 Base-Backbone interact. energy: -1.891 local terms energy: -271.149331 where: bonds (distance) C4'-P energy: -76.052 bonds (distance) P-C4' energy: -84.296 flat angles C4'-P-C4' energy: -75.374 flat angles P-C4'-P energy: -36.419 tors. eta vs tors. theta energy: 0.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1701.510012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.510012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.510012 (E_RNA) where: Base-Base interactions energy: -1159.768 where: short stacking energy: -503.703 Base-Backbone interact. energy: -1.089 local terms energy: -540.653061 where: bonds (distance) C4'-P energy: -97.592 bonds (distance) P-C4' energy: -91.519 flat angles C4'-P-C4' energy: -107.276 flat angles P-C4'-P energy: -82.338 tors. eta vs tors. theta energy: -161.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1578.179292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.179292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.179292 (E_RNA) where: Base-Base interactions energy: -1077.698 where: short stacking energy: -468.389 Base-Backbone interact. energy: -2.713 local terms energy: -497.768864 where: bonds (distance) C4'-P energy: -100.108 bonds (distance) P-C4' energy: -84.619 flat angles C4'-P-C4' energy: -102.555 flat angles P-C4'-P energy: -75.931 tors. eta vs tors. theta energy: -134.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1481.986521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.986521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.986521 (E_RNA) where: Base-Base interactions energy: -1009.610 where: short stacking energy: -437.315 Base-Backbone interact. energy: -0.602 local terms energy: -471.775410 where: bonds (distance) C4'-P energy: -77.949 bonds (distance) P-C4' energy: -89.965 flat angles C4'-P-C4' energy: -108.162 flat angles P-C4'-P energy: -67.443 tors. eta vs tors. theta energy: -128.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1402.946751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.946751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.946751 (E_RNA) where: Base-Base interactions energy: -928.532 where: short stacking energy: -426.569 Base-Backbone interact. energy: -1.207 local terms energy: -473.207293 where: bonds (distance) C4'-P energy: -95.284 bonds (distance) P-C4' energy: -91.164 flat angles C4'-P-C4' energy: -100.482 flat angles P-C4'-P energy: -68.843 tors. eta vs tors. theta energy: -117.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1350.724920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.724920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.724920 (E_RNA) where: Base-Base interactions energy: -902.122 where: short stacking energy: -393.785 Base-Backbone interact. energy: -0.432 local terms energy: -448.170917 where: bonds (distance) C4'-P energy: -86.017 bonds (distance) P-C4' energy: -84.699 flat angles C4'-P-C4' energy: -96.071 flat angles P-C4'-P energy: -68.683 tors. eta vs tors. theta energy: -112.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -1193.079514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.079514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.079514 (E_RNA) where: Base-Base interactions energy: -788.803 where: short stacking energy: -343.667 Base-Backbone interact. energy: -1.368 local terms energy: -402.908567 where: bonds (distance) C4'-P energy: -75.699 bonds (distance) P-C4' energy: -85.926 flat angles C4'-P-C4' energy: -101.009 flat angles P-C4'-P energy: -49.222 tors. eta vs tors. theta energy: -91.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1029.009797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.009797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.009797 (E_RNA) where: Base-Base interactions energy: -658.700 where: short stacking energy: -324.903 Base-Backbone interact. energy: -2.356 local terms energy: -367.953917 where: bonds (distance) C4'-P energy: -78.632 bonds (distance) P-C4' energy: -73.503 flat angles C4'-P-C4' energy: -90.699 flat angles P-C4'-P energy: -59.200 tors. eta vs tors. theta energy: -65.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -735.720609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.720609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.720609 (E_RNA) where: Base-Base interactions energy: -473.836 where: short stacking energy: -215.475 Base-Backbone interact. energy: 2.323 local terms energy: -264.207398 where: bonds (distance) C4'-P energy: -68.758 bonds (distance) P-C4' energy: -75.665 flat angles C4'-P-C4' energy: -71.206 flat angles P-C4'-P energy: -38.368 tors. eta vs tors. theta energy: -10.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -677.832997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.832997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.832997 (E_RNA) where: Base-Base interactions energy: -364.454 where: short stacking energy: -203.261 Base-Backbone interact. energy: -0.160 local terms energy: -313.218460 where: bonds (distance) C4'-P energy: -86.468 bonds (distance) P-C4' energy: -83.618 flat angles C4'-P-C4' energy: -82.955 flat angles P-C4'-P energy: -46.906 tors. eta vs tors. theta energy: -13.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -392.518345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.518345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.518345 (E_RNA) where: Base-Base interactions energy: -152.371 where: short stacking energy: -99.079 Base-Backbone interact. energy: 2.156 local terms energy: -242.303059 where: bonds (distance) C4'-P energy: -77.211 bonds (distance) P-C4' energy: -78.242 flat angles C4'-P-C4' energy: -65.831 flat angles P-C4'-P energy: -27.881 tors. eta vs tors. theta energy: 6.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1686.925500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.925500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.925500 (E_RNA) where: Base-Base interactions energy: -1160.187 where: short stacking energy: -512.949 Base-Backbone interact. energy: -3.642 local terms energy: -523.095688 where: bonds (distance) C4'-P energy: -92.098 bonds (distance) P-C4' energy: -88.767 flat angles C4'-P-C4' energy: -110.902 flat angles P-C4'-P energy: -77.014 tors. eta vs tors. theta energy: -154.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1581.367312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.367312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.367312 (E_RNA) where: Base-Base interactions energy: -1081.414 where: short stacking energy: -468.405 Base-Backbone interact. energy: -2.807 local terms energy: -497.147184 where: bonds (distance) C4'-P energy: -94.709 bonds (distance) P-C4' energy: -98.427 flat angles C4'-P-C4' energy: -99.707 flat angles P-C4'-P energy: -71.289 tors. eta vs tors. theta energy: -133.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1485.635298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.635298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.635298 (E_RNA) where: Base-Base interactions energy: -1006.558 where: short stacking energy: -453.222 Base-Backbone interact. energy: -2.215 local terms energy: -476.861762 where: bonds (distance) C4'-P energy: -79.742 bonds (distance) P-C4' energy: -93.497 flat angles C4'-P-C4' energy: -97.729 flat angles P-C4'-P energy: -77.568 tors. eta vs tors. theta energy: -128.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1347.767260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.767260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.767260 (E_RNA) where: Base-Base interactions energy: -889.166 where: short stacking energy: -404.543 Base-Backbone interact. energy: -0.479 local terms energy: -458.122272 where: bonds (distance) C4'-P energy: -94.729 bonds (distance) P-C4' energy: -97.565 flat angles C4'-P-C4' energy: -91.251 flat angles P-C4'-P energy: -69.957 tors. eta vs tors. theta energy: -104.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1317.481747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.481747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.481747 (E_RNA) where: Base-Base interactions energy: -897.221 where: short stacking energy: -379.941 Base-Backbone interact. energy: 0.636 local terms energy: -420.896627 where: bonds (distance) C4'-P energy: -88.723 bonds (distance) P-C4' energy: -83.310 flat angles C4'-P-C4' energy: -96.296 flat angles P-C4'-P energy: -50.748 tors. eta vs tors. theta energy: -101.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1149.901897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.901897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.901897 (E_RNA) where: Base-Base interactions energy: -748.206 where: short stacking energy: -341.664 Base-Backbone interact. energy: -0.402 local terms energy: -401.293685 where: bonds (distance) C4'-P energy: -74.478 bonds (distance) P-C4' energy: -92.022 flat angles C4'-P-C4' energy: -96.378 flat angles P-C4'-P energy: -64.873 tors. eta vs tors. theta energy: -73.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1005.939517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.939517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.939517 (E_RNA) where: Base-Base interactions energy: -648.879 where: short stacking energy: -332.743 Base-Backbone interact. energy: -2.030 local terms energy: -355.030239 where: bonds (distance) C4'-P energy: -73.029 bonds (distance) P-C4' energy: -81.966 flat angles C4'-P-C4' energy: -79.272 flat angles P-C4'-P energy: -46.138 tors. eta vs tors. theta energy: -74.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -725.674380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.674380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.674380 (E_RNA) where: Base-Base interactions energy: -419.882 where: short stacking energy: -218.499 Base-Backbone interact. energy: -0.513 local terms energy: -305.280308 where: bonds (distance) C4'-P energy: -67.907 bonds (distance) P-C4' energy: -79.958 flat angles C4'-P-C4' energy: -81.867 flat angles P-C4'-P energy: -49.660 tors. eta vs tors. theta energy: -25.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -612.603533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.603533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.603533 (E_RNA) where: Base-Base interactions energy: -328.257 where: short stacking energy: -189.927 Base-Backbone interact. energy: 1.289 local terms energy: -285.635273 where: bonds (distance) C4'-P energy: -85.499 bonds (distance) P-C4' energy: -72.657 flat angles C4'-P-C4' energy: -73.554 flat angles P-C4'-P energy: -39.976 tors. eta vs tors. theta energy: -13.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -386.272959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.272959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.272959 (E_RNA) where: Base-Base interactions energy: -146.670 where: short stacking energy: -97.884 Base-Backbone interact. energy: -1.196 local terms energy: -238.407246 where: bonds (distance) C4'-P energy: -73.669 bonds (distance) P-C4' energy: -80.861 flat angles C4'-P-C4' energy: -57.208 flat angles P-C4'-P energy: -49.014 tors. eta vs tors. theta energy: 22.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1689.195654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.195654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.195654 (E_RNA) where: Base-Base interactions energy: -1157.650 where: short stacking energy: -515.112 Base-Backbone interact. energy: -2.513 local terms energy: -529.032824 where: bonds (distance) C4'-P energy: -76.354 bonds (distance) P-C4' energy: -92.146 flat angles C4'-P-C4' energy: -113.151 flat angles P-C4'-P energy: -84.623 tors. eta vs tors. theta energy: -162.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1572.790038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.790038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.790038 (E_RNA) where: Base-Base interactions energy: -1075.191 where: short stacking energy: -478.307 Base-Backbone interact. energy: -2.613 local terms energy: -494.985631 where: bonds (distance) C4'-P energy: -90.231 bonds (distance) P-C4' energy: -92.382 flat angles C4'-P-C4' energy: -104.777 flat angles P-C4'-P energy: -68.058 tors. eta vs tors. theta energy: -139.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1497.881335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.881335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.881335 (E_RNA) where: Base-Base interactions energy: -1002.459 where: short stacking energy: -458.709 Base-Backbone interact. energy: -1.991 local terms energy: -493.431007 where: bonds (distance) C4'-P energy: -78.375 bonds (distance) P-C4' energy: -98.396 flat angles C4'-P-C4' energy: -109.058 flat angles P-C4'-P energy: -73.598 tors. eta vs tors. theta energy: -134.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1361.081808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.081808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.081808 (E_RNA) where: Base-Base interactions energy: -922.179 where: short stacking energy: -409.823 Base-Backbone interact. energy: -1.261 local terms energy: -437.641807 where: bonds (distance) C4'-P energy: -76.962 bonds (distance) P-C4' energy: -90.276 flat angles C4'-P-C4' energy: -92.756 flat angles P-C4'-P energy: -65.822 tors. eta vs tors. theta energy: -111.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -1331.096658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.096658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.096658 (E_RNA) where: Base-Base interactions energy: -904.504 where: short stacking energy: -394.040 Base-Backbone interact. energy: -1.635 local terms energy: -424.957827 where: bonds (distance) C4'-P energy: -72.854 bonds (distance) P-C4' energy: -81.985 flat angles C4'-P-C4' energy: -89.329 flat angles P-C4'-P energy: -76.340 tors. eta vs tors. theta energy: -104.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -1135.760190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.760190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.760190 (E_RNA) where: Base-Base interactions energy: -721.954 where: short stacking energy: -328.983 Base-Backbone interact. energy: 1.096 local terms energy: -414.902556 where: bonds (distance) C4'-P energy: -80.022 bonds (distance) P-C4' energy: -87.536 flat angles C4'-P-C4' energy: -98.361 flat angles P-C4'-P energy: -55.860 tors. eta vs tors. theta energy: -93.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1014.619979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.619979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.619979 (E_RNA) where: Base-Base interactions energy: -638.811 where: short stacking energy: -315.775 Base-Backbone interact. energy: -0.324 local terms energy: -375.484857 where: bonds (distance) C4'-P energy: -82.107 bonds (distance) P-C4' energy: -81.263 flat angles C4'-P-C4' energy: -74.174 flat angles P-C4'-P energy: -58.996 tors. eta vs tors. theta energy: -78.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -748.851144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.851144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.851144 (E_RNA) where: Base-Base interactions energy: -423.683 where: short stacking energy: -236.075 Base-Backbone interact. energy: -3.226 local terms energy: -321.941628 where: bonds (distance) C4'-P energy: -89.539 bonds (distance) P-C4' energy: -70.700 flat angles C4'-P-C4' energy: -80.147 flat angles P-C4'-P energy: -50.571 tors. eta vs tors. theta energy: -30.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -578.849317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.849317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.849317 (E_RNA) where: Base-Base interactions energy: -279.557 where: short stacking energy: -155.839 Base-Backbone interact. energy: -1.603 local terms energy: -297.689167 where: bonds (distance) C4'-P energy: -87.419 bonds (distance) P-C4' energy: -82.222 flat angles C4'-P-C4' energy: -67.610 flat angles P-C4'-P energy: -45.376 tors. eta vs tors. theta energy: -15.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -389.534119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.534119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.534119 (E_RNA) where: Base-Base interactions energy: -129.090 where: short stacking energy: -117.972 Base-Backbone interact. energy: 1.582 local terms energy: -262.025410 where: bonds (distance) C4'-P energy: -81.962 bonds (distance) P-C4' energy: -79.991 flat angles C4'-P-C4' energy: -68.383 flat angles P-C4'-P energy: -40.613 tors. eta vs tors. theta energy: 8.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1690.764774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.764774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.764774 (E_RNA) where: Base-Base interactions energy: -1157.003 where: short stacking energy: -507.407 Base-Backbone interact. energy: -2.134 local terms energy: -531.627598 where: bonds (distance) C4'-P energy: -101.894 bonds (distance) P-C4' energy: -88.835 flat angles C4'-P-C4' energy: -112.612 flat angles P-C4'-P energy: -73.987 tors. eta vs tors. theta energy: -154.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1598.918286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.918286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.918286 (E_RNA) where: Base-Base interactions energy: -1086.536 where: short stacking energy: -464.614 Base-Backbone interact. energy: -2.031 local terms energy: -510.351020 where: bonds (distance) C4'-P energy: -95.204 bonds (distance) P-C4' energy: -92.433 flat angles C4'-P-C4' energy: -108.300 flat angles P-C4'-P energy: -67.635 tors. eta vs tors. theta energy: -146.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1490.377359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.377359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.377359 (E_RNA) where: Base-Base interactions energy: -1020.012 where: short stacking energy: -449.645 Base-Backbone interact. energy: -1.412 local terms energy: -468.953062 where: bonds (distance) C4'-P energy: -93.902 bonds (distance) P-C4' energy: -90.904 flat angles C4'-P-C4' energy: -94.708 flat angles P-C4'-P energy: -62.421 tors. eta vs tors. theta energy: -127.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1383.677015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.677015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.677015 (E_RNA) where: Base-Base interactions energy: -924.136 where: short stacking energy: -429.695 Base-Backbone interact. energy: -0.744 local terms energy: -458.796842 where: bonds (distance) C4'-P energy: -72.400 bonds (distance) P-C4' energy: -93.048 flat angles C4'-P-C4' energy: -97.780 flat angles P-C4'-P energy: -75.806 tors. eta vs tors. theta energy: -119.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1314.939161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.939161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.939161 (E_RNA) where: Base-Base interactions energy: -895.349 where: short stacking energy: -391.843 Base-Backbone interact. energy: -2.978 local terms energy: -416.611978 where: bonds (distance) C4'-P energy: -79.044 bonds (distance) P-C4' energy: -83.741 flat angles C4'-P-C4' energy: -93.883 flat angles P-C4'-P energy: -54.112 tors. eta vs tors. theta energy: -105.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1187.412192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.412192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.412192 (E_RNA) where: Base-Base interactions energy: -762.232 where: short stacking energy: -341.314 Base-Backbone interact. energy: -2.756 local terms energy: -422.423764 where: bonds (distance) C4'-P energy: -82.706 bonds (distance) P-C4' energy: -84.487 flat angles C4'-P-C4' energy: -93.167 flat angles P-C4'-P energy: -74.633 tors. eta vs tors. theta energy: -87.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -938.656723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.656723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.656723 (E_RNA) where: Base-Base interactions energy: -579.012 where: short stacking energy: -267.268 Base-Backbone interact. energy: 4.475 local terms energy: -364.120051 where: bonds (distance) C4'-P energy: -76.710 bonds (distance) P-C4' energy: -93.678 flat angles C4'-P-C4' energy: -84.753 flat angles P-C4'-P energy: -45.451 tors. eta vs tors. theta energy: -63.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -716.345222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.345222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.345222 (E_RNA) where: Base-Base interactions energy: -408.776 where: short stacking energy: -211.411 Base-Backbone interact. energy: 4.864 local terms energy: -312.433255 where: bonds (distance) C4'-P energy: -79.668 bonds (distance) P-C4' energy: -92.264 flat angles C4'-P-C4' energy: -65.627 flat angles P-C4'-P energy: -40.397 tors. eta vs tors. theta energy: -34.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -577.945834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.945834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.945834 (E_RNA) where: Base-Base interactions energy: -294.410 where: short stacking energy: -169.346 Base-Backbone interact. energy: -2.842 local terms energy: -280.693638 where: bonds (distance) C4'-P energy: -71.417 bonds (distance) P-C4' energy: -67.197 flat angles C4'-P-C4' energy: -76.647 flat angles P-C4'-P energy: -37.109 tors. eta vs tors. theta energy: -28.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -376.073629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.073629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.073629 (E_RNA) where: Base-Base interactions energy: -111.026 where: short stacking energy: -95.891 Base-Backbone interact. energy: 2.331 local terms energy: -267.379559 where: bonds (distance) C4'-P energy: -77.755 bonds (distance) P-C4' energy: -84.990 flat angles C4'-P-C4' energy: -78.561 flat angles P-C4'-P energy: -45.847 tors. eta vs tors. theta energy: 19.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1695.729279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.729279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.729279 (E_RNA) where: Base-Base interactions energy: -1166.021 where: short stacking energy: -518.357 Base-Backbone interact. energy: 1.788 local terms energy: -531.496742 where: bonds (distance) C4'-P energy: -107.779 bonds (distance) P-C4' energy: -99.262 flat angles C4'-P-C4' energy: -106.850 flat angles P-C4'-P energy: -62.889 tors. eta vs tors. theta energy: -154.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1611.807256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.807256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.807256 (E_RNA) where: Base-Base interactions energy: -1102.131 where: short stacking energy: -479.404 Base-Backbone interact. energy: 0.052 local terms energy: -509.727746 where: bonds (distance) C4'-P energy: -87.958 bonds (distance) P-C4' energy: -107.478 flat angles C4'-P-C4' energy: -103.945 flat angles P-C4'-P energy: -75.589 tors. eta vs tors. theta energy: -134.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1448.914840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.914840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.914840 (E_RNA) where: Base-Base interactions energy: -989.125 where: short stacking energy: -451.611 Base-Backbone interact. energy: -1.226 local terms energy: -458.564305 where: bonds (distance) C4'-P energy: -94.324 bonds (distance) P-C4' energy: -73.649 flat angles C4'-P-C4' energy: -99.653 flat angles P-C4'-P energy: -68.447 tors. eta vs tors. theta energy: -122.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1377.811663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.811663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.811663 (E_RNA) where: Base-Base interactions energy: -922.140 where: short stacking energy: -425.943 Base-Backbone interact. energy: -0.738 local terms energy: -454.933692 where: bonds (distance) C4'-P energy: -85.647 bonds (distance) P-C4' energy: -86.086 flat angles C4'-P-C4' energy: -109.857 flat angles P-C4'-P energy: -53.221 tors. eta vs tors. theta energy: -120.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1359.825459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.825459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.825459 (E_RNA) where: Base-Base interactions energy: -936.703 where: short stacking energy: -401.132 Base-Backbone interact. energy: -3.951 local terms energy: -419.172326 where: bonds (distance) C4'-P energy: -73.842 bonds (distance) P-C4' energy: -88.694 flat angles C4'-P-C4' energy: -90.324 flat angles P-C4'-P energy: -64.896 tors. eta vs tors. theta energy: -101.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1169.458747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.458747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.458747 (E_RNA) where: Base-Base interactions energy: -774.300 where: short stacking energy: -349.080 Base-Backbone interact. energy: 1.286 local terms energy: -396.444271 where: bonds (distance) C4'-P energy: -78.251 bonds (distance) P-C4' energy: -85.632 flat angles C4'-P-C4' energy: -88.687 flat angles P-C4'-P energy: -65.100 tors. eta vs tors. theta energy: -78.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -980.066214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.066214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.066214 (E_RNA) where: Base-Base interactions energy: -637.329 where: short stacking energy: -285.076 Base-Backbone interact. energy: -1.572 local terms energy: -341.164559 where: bonds (distance) C4'-P energy: -79.273 bonds (distance) P-C4' energy: -69.537 flat angles C4'-P-C4' energy: -82.925 flat angles P-C4'-P energy: -54.027 tors. eta vs tors. theta energy: -55.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -713.656482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.656482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.656482 (E_RNA) where: Base-Base interactions energy: -412.816 where: short stacking energy: -216.971 Base-Backbone interact. energy: 0.268 local terms energy: -301.108627 where: bonds (distance) C4'-P energy: -81.601 bonds (distance) P-C4' energy: -65.254 flat angles C4'-P-C4' energy: -67.945 flat angles P-C4'-P energy: -55.987 tors. eta vs tors. theta energy: -30.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -558.940258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.940258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.940258 (E_RNA) where: Base-Base interactions energy: -270.776 where: short stacking energy: -149.538 Base-Backbone interact. energy: -1.334 local terms energy: -286.830125 where: bonds (distance) C4'-P energy: -63.789 bonds (distance) P-C4' energy: -91.024 flat angles C4'-P-C4' energy: -78.449 flat angles P-C4'-P energy: -45.326 tors. eta vs tors. theta energy: -8.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -377.625449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.625449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.625449 (E_RNA) where: Base-Base interactions energy: -130.291 where: short stacking energy: -118.565 Base-Backbone interact. energy: -0.614 local terms energy: -246.720283 where: bonds (distance) C4'-P energy: -73.399 bonds (distance) P-C4' energy: -85.890 flat angles C4'-P-C4' energy: -62.389 flat angles P-C4'-P energy: -25.609 tors. eta vs tors. theta energy: 0.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1674.031677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.031677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.031677 (E_RNA) where: Base-Base interactions energy: -1154.748 where: short stacking energy: -520.502 Base-Backbone interact. energy: -1.772 local terms energy: -517.511522 where: bonds (distance) C4'-P energy: -90.637 bonds (distance) P-C4' energy: -86.281 flat angles C4'-P-C4' energy: -108.719 flat angles P-C4'-P energy: -71.410 tors. eta vs tors. theta energy: -160.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1574.540643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.540643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.540643 (E_RNA) where: Base-Base interactions energy: -1108.424 where: short stacking energy: -468.130 Base-Backbone interact. energy: -1.022 local terms energy: -465.094884 where: bonds (distance) C4'-P energy: -87.609 bonds (distance) P-C4' energy: -85.612 flat angles C4'-P-C4' energy: -107.882 flat angles P-C4'-P energy: -59.363 tors. eta vs tors. theta energy: -124.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1466.208119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.208119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.208119 (E_RNA) where: Base-Base interactions energy: -981.530 where: short stacking energy: -442.428 Base-Backbone interact. energy: -0.304 local terms energy: -484.373948 where: bonds (distance) C4'-P energy: -86.942 bonds (distance) P-C4' energy: -89.275 flat angles C4'-P-C4' energy: -102.537 flat angles P-C4'-P energy: -73.271 tors. eta vs tors. theta energy: -132.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1416.362948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.362948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.362948 (E_RNA) where: Base-Base interactions energy: -958.515 where: short stacking energy: -427.754 Base-Backbone interact. energy: -2.704 local terms energy: -455.144241 where: bonds (distance) C4'-P energy: -86.218 bonds (distance) P-C4' energy: -86.069 flat angles C4'-P-C4' energy: -101.955 flat angles P-C4'-P energy: -64.399 tors. eta vs tors. theta energy: -116.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1337.425817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.425817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.425817 (E_RNA) where: Base-Base interactions energy: -900.845 where: short stacking energy: -391.839 Base-Backbone interact. energy: -3.499 local terms energy: -433.081682 where: bonds (distance) C4'-P energy: -93.233 bonds (distance) P-C4' energy: -79.207 flat angles C4'-P-C4' energy: -87.193 flat angles P-C4'-P energy: -64.163 tors. eta vs tors. theta energy: -109.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -1158.004667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.004667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.004667 (E_RNA) where: Base-Base interactions energy: -768.309 where: short stacking energy: -331.661 Base-Backbone interact. energy: -4.331 local terms energy: -385.364080 where: bonds (distance) C4'-P energy: -62.256 bonds (distance) P-C4' energy: -95.598 flat angles C4'-P-C4' energy: -83.058 flat angles P-C4'-P energy: -59.286 tors. eta vs tors. theta energy: -85.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1002.891224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.891224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.891224 (E_RNA) where: Base-Base interactions energy: -640.408 where: short stacking energy: -308.125 Base-Backbone interact. energy: -1.580 local terms energy: -360.902845 where: bonds (distance) C4'-P energy: -80.132 bonds (distance) P-C4' energy: -80.107 flat angles C4'-P-C4' energy: -86.636 flat angles P-C4'-P energy: -57.051 tors. eta vs tors. theta energy: -56.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -693.742385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.742385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.742385 (E_RNA) where: Base-Base interactions energy: -394.357 where: short stacking energy: -212.960 Base-Backbone interact. energy: 0.983 local terms energy: -300.369028 where: bonds (distance) C4'-P energy: -61.232 bonds (distance) P-C4' energy: -86.636 flat angles C4'-P-C4' energy: -71.734 flat angles P-C4'-P energy: -50.921 tors. eta vs tors. theta energy: -29.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -599.069488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.069488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.069488 (E_RNA) where: Base-Base interactions energy: -320.805 where: short stacking energy: -181.747 Base-Backbone interact. energy: -2.080 local terms energy: -276.184359 where: bonds (distance) C4'-P energy: -63.188 bonds (distance) P-C4' energy: -84.814 flat angles C4'-P-C4' energy: -78.484 flat angles P-C4'-P energy: -32.908 tors. eta vs tors. theta energy: -16.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -377.894003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.894003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.894003 (E_RNA) where: Base-Base interactions energy: -122.834 where: short stacking energy: -104.235 Base-Backbone interact. energy: 0.286 local terms energy: -255.346789 where: bonds (distance) C4'-P energy: -75.011 bonds (distance) P-C4' energy: -75.853 flat angles C4'-P-C4' energy: -72.160 flat angles P-C4'-P energy: -36.177 tors. eta vs tors. theta energy: 3.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1700.321194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.321194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.321194 (E_RNA) where: Base-Base interactions energy: -1169.171 where: short stacking energy: -501.400 Base-Backbone interact. energy: -0.219 local terms energy: -530.932114 where: bonds (distance) C4'-P energy: -93.168 bonds (distance) P-C4' energy: -90.746 flat angles C4'-P-C4' energy: -111.024 flat angles P-C4'-P energy: -78.523 tors. eta vs tors. theta energy: -157.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1591.432448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.432448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.432448 (E_RNA) where: Base-Base interactions energy: -1083.695 where: short stacking energy: -446.175 Base-Backbone interact. energy: -2.108 local terms energy: -505.628477 where: bonds (distance) C4'-P energy: -101.027 bonds (distance) P-C4' energy: -94.214 flat angles C4'-P-C4' energy: -109.884 flat angles P-C4'-P energy: -73.527 tors. eta vs tors. theta energy: -126.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1487.499477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.499477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.499477 (E_RNA) where: Base-Base interactions energy: -1007.750 where: short stacking energy: -437.611 Base-Backbone interact. energy: -2.998 local terms energy: -476.751461 where: bonds (distance) C4'-P energy: -89.879 bonds (distance) P-C4' energy: -91.701 flat angles C4'-P-C4' energy: -106.852 flat angles P-C4'-P energy: -62.449 tors. eta vs tors. theta energy: -125.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1430.168204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.168204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.168204 (E_RNA) where: Base-Base interactions energy: -980.854 where: short stacking energy: -430.372 Base-Backbone interact. energy: -2.680 local terms energy: -446.633433 where: bonds (distance) C4'-P energy: -75.666 bonds (distance) P-C4' energy: -80.413 flat angles C4'-P-C4' energy: -107.356 flat angles P-C4'-P energy: -66.437 tors. eta vs tors. theta energy: -116.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1330.543629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.543629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.543629 (E_RNA) where: Base-Base interactions energy: -898.179 where: short stacking energy: -388.153 Base-Backbone interact. energy: 0.909 local terms energy: -433.273593 where: bonds (distance) C4'-P energy: -81.860 bonds (distance) P-C4' energy: -80.397 flat angles C4'-P-C4' energy: -102.810 flat angles P-C4'-P energy: -69.442 tors. eta vs tors. theta energy: -98.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1194.956820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.956820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.956820 (E_RNA) where: Base-Base interactions energy: -780.643 where: short stacking energy: -372.970 Base-Backbone interact. energy: -1.918 local terms energy: -412.396145 where: bonds (distance) C4'-P energy: -85.871 bonds (distance) P-C4' energy: -93.544 flat angles C4'-P-C4' energy: -92.878 flat angles P-C4'-P energy: -50.665 tors. eta vs tors. theta energy: -89.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -958.336838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.336838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.336838 (E_RNA) where: Base-Base interactions energy: -611.288 where: short stacking energy: -288.722 Base-Backbone interact. energy: -1.100 local terms energy: -345.949644 where: bonds (distance) C4'-P energy: -84.006 bonds (distance) P-C4' energy: -90.086 flat angles C4'-P-C4' energy: -76.244 flat angles P-C4'-P energy: -37.608 tors. eta vs tors. theta energy: -58.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -744.016937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.016937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.016937 (E_RNA) where: Base-Base interactions energy: -447.630 where: short stacking energy: -231.779 Base-Backbone interact. energy: 2.174 local terms energy: -298.561099 where: bonds (distance) C4'-P energy: -85.153 bonds (distance) P-C4' energy: -74.758 flat angles C4'-P-C4' energy: -72.706 flat angles P-C4'-P energy: -36.344 tors. eta vs tors. theta energy: -29.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -531.180242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.180242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.180242 (E_RNA) where: Base-Base interactions energy: -262.238 where: short stacking energy: -135.859 Base-Backbone interact. energy: 1.776 local terms energy: -270.717601 where: bonds (distance) C4'-P energy: -65.915 bonds (distance) P-C4' energy: -82.416 flat angles C4'-P-C4' energy: -69.663 flat angles P-C4'-P energy: -44.226 tors. eta vs tors. theta energy: -8.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -379.547922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.547922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.547922 (E_RNA) where: Base-Base interactions energy: -118.429 where: short stacking energy: -84.463 Base-Backbone interact. energy: -1.155 local terms energy: -259.964171 where: bonds (distance) C4'-P energy: -81.143 bonds (distance) P-C4' energy: -94.674 flat angles C4'-P-C4' energy: -54.501 flat angles P-C4'-P energy: -41.293 tors. eta vs tors. theta energy: 11.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1701.493612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.493612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.493612 (E_RNA) where: Base-Base interactions energy: -1157.706 where: short stacking energy: -514.677 Base-Backbone interact. energy: -3.034 local terms energy: -540.753247 where: bonds (distance) C4'-P energy: -90.467 bonds (distance) P-C4' energy: -98.246 flat angles C4'-P-C4' energy: -115.705 flat angles P-C4'-P energy: -74.576 tors. eta vs tors. theta energy: -161.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1597.120136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.120136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.120136 (E_RNA) where: Base-Base interactions energy: -1116.879 where: short stacking energy: -449.189 Base-Backbone interact. energy: -1.439 local terms energy: -478.802208 where: bonds (distance) C4'-P energy: -85.447 bonds (distance) P-C4' energy: -88.879 flat angles C4'-P-C4' energy: -102.372 flat angles P-C4'-P energy: -80.230 tors. eta vs tors. theta energy: -121.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1495.531800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.531800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.531800 (E_RNA) where: Base-Base interactions energy: -1001.610 where: short stacking energy: -440.165 Base-Backbone interact. energy: -2.446 local terms energy: -491.475730 where: bonds (distance) C4'-P energy: -93.223 bonds (distance) P-C4' energy: -86.457 flat angles C4'-P-C4' energy: -108.374 flat angles P-C4'-P energy: -79.850 tors. eta vs tors. theta energy: -123.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1391.270253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.270253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.270253 (E_RNA) where: Base-Base interactions energy: -951.222 where: short stacking energy: -417.663 Base-Backbone interact. energy: -4.255 local terms energy: -435.793087 where: bonds (distance) C4'-P energy: -68.835 bonds (distance) P-C4' energy: -82.728 flat angles C4'-P-C4' energy: -98.503 flat angles P-C4'-P energy: -61.461 tors. eta vs tors. theta energy: -124.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1346.376800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.376800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.376800 (E_RNA) where: Base-Base interactions energy: -912.708 where: short stacking energy: -393.636 Base-Backbone interact. energy: -0.783 local terms energy: -432.886002 where: bonds (distance) C4'-P energy: -75.757 bonds (distance) P-C4' energy: -90.057 flat angles C4'-P-C4' energy: -85.364 flat angles P-C4'-P energy: -69.050 tors. eta vs tors. theta energy: -112.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1133.645298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.645298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.645298 (E_RNA) where: Base-Base interactions energy: -723.818 where: short stacking energy: -344.958 Base-Backbone interact. energy: -1.048 local terms energy: -408.779578 where: bonds (distance) C4'-P energy: -79.064 bonds (distance) P-C4' energy: -86.087 flat angles C4'-P-C4' energy: -84.955 flat angles P-C4'-P energy: -62.105 tors. eta vs tors. theta energy: -96.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -939.046494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.046494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.046494 (E_RNA) where: Base-Base interactions energy: -608.982 where: short stacking energy: -287.325 Base-Backbone interact. energy: -0.988 local terms energy: -329.076947 where: bonds (distance) C4'-P energy: -71.261 bonds (distance) P-C4' energy: -82.912 flat angles C4'-P-C4' energy: -79.657 flat angles P-C4'-P energy: -46.103 tors. eta vs tors. theta energy: -49.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -865.116161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.116161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.116161 (E_RNA) where: Base-Base interactions energy: -489.498 where: short stacking energy: -241.378 Base-Backbone interact. energy: -1.101 local terms energy: -374.517266 where: bonds (distance) C4'-P energy: -91.818 bonds (distance) P-C4' energy: -92.178 flat angles C4'-P-C4' energy: -89.355 flat angles P-C4'-P energy: -43.055 tors. eta vs tors. theta energy: -58.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -553.386469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.386469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.386469 (E_RNA) where: Base-Base interactions energy: -283.857 where: short stacking energy: -149.134 Base-Backbone interact. energy: -1.493 local terms energy: -268.035810 where: bonds (distance) C4'-P energy: -66.277 bonds (distance) P-C4' energy: -84.682 flat angles C4'-P-C4' energy: -74.348 flat angles P-C4'-P energy: -32.586 tors. eta vs tors. theta energy: -10.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -427.444535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.444535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.444535 (E_RNA) where: Base-Base interactions energy: -156.448 where: short stacking energy: -113.879 Base-Backbone interact. energy: -1.472 local terms energy: -269.525290 where: bonds (distance) C4'-P energy: -83.264 bonds (distance) P-C4' energy: -76.221 flat angles C4'-P-C4' energy: -74.297 flat angles P-C4'-P energy: -35.182 tors. eta vs tors. theta energy: -0.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1713.202406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.202406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.202406 (E_RNA) where: Base-Base interactions energy: -1173.558 where: short stacking energy: -509.033 Base-Backbone interact. energy: -0.602 local terms energy: -539.043111 where: bonds (distance) C4'-P energy: -92.908 bonds (distance) P-C4' energy: -104.522 flat angles C4'-P-C4' energy: -103.902 flat angles P-C4'-P energy: -77.029 tors. eta vs tors. theta energy: -160.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1599.237264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.237264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.237264 (E_RNA) where: Base-Base interactions energy: -1121.896 where: short stacking energy: -479.340 Base-Backbone interact. energy: -1.442 local terms energy: -475.898507 where: bonds (distance) C4'-P energy: -83.587 bonds (distance) P-C4' energy: -79.494 flat angles C4'-P-C4' energy: -100.450 flat angles P-C4'-P energy: -70.319 tors. eta vs tors. theta energy: -142.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1544.469437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.469437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.469437 (E_RNA) where: Base-Base interactions energy: -1043.864 where: short stacking energy: -467.948 Base-Backbone interact. energy: -2.363 local terms energy: -498.242354 where: bonds (distance) C4'-P energy: -81.655 bonds (distance) P-C4' energy: -97.283 flat angles C4'-P-C4' energy: -107.393 flat angles P-C4'-P energy: -71.551 tors. eta vs tors. theta energy: -140.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1397.183902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.183902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.183902 (E_RNA) where: Base-Base interactions energy: -936.221 where: short stacking energy: -429.433 Base-Backbone interact. energy: -1.909 local terms energy: -459.053357 where: bonds (distance) C4'-P energy: -78.191 bonds (distance) P-C4' energy: -91.082 flat angles C4'-P-C4' energy: -95.859 flat angles P-C4'-P energy: -62.896 tors. eta vs tors. theta energy: -131.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1349.027823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.027823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.027823 (E_RNA) where: Base-Base interactions energy: -911.231 where: short stacking energy: -376.313 Base-Backbone interact. energy: -1.356 local terms energy: -436.441216 where: bonds (distance) C4'-P energy: -91.163 bonds (distance) P-C4' energy: -81.116 flat angles C4'-P-C4' energy: -97.872 flat angles P-C4'-P energy: -55.735 tors. eta vs tors. theta energy: -110.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1124.206131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.206131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.206131 (E_RNA) where: Base-Base interactions energy: -754.023 where: short stacking energy: -346.997 Base-Backbone interact. energy: 0.536 local terms energy: -370.718640 where: bonds (distance) C4'-P energy: -85.747 bonds (distance) P-C4' energy: -75.364 flat angles C4'-P-C4' energy: -75.499 flat angles P-C4'-P energy: -56.869 tors. eta vs tors. theta energy: -77.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -945.907563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.907563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.907563 (E_RNA) where: Base-Base interactions energy: -600.556 where: short stacking energy: -316.771 Base-Backbone interact. energy: 3.116 local terms energy: -348.467533 where: bonds (distance) C4'-P energy: -78.277 bonds (distance) P-C4' energy: -76.224 flat angles C4'-P-C4' energy: -72.362 flat angles P-C4'-P energy: -53.042 tors. eta vs tors. theta energy: -68.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -765.518570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.518570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.518570 (E_RNA) where: Base-Base interactions energy: -451.923 where: short stacking energy: -242.060 Base-Backbone interact. energy: -2.112 local terms energy: -311.484441 where: bonds (distance) C4'-P energy: -75.054 bonds (distance) P-C4' energy: -67.573 flat angles C4'-P-C4' energy: -82.399 flat angles P-C4'-P energy: -48.510 tors. eta vs tors. theta energy: -37.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -593.009991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.009991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.009991 (E_RNA) where: Base-Base interactions energy: -324.596 where: short stacking energy: -187.742 Base-Backbone interact. energy: -1.515 local terms energy: -266.899018 where: bonds (distance) C4'-P energy: -76.612 bonds (distance) P-C4' energy: -81.508 flat angles C4'-P-C4' energy: -60.047 flat angles P-C4'-P energy: -41.479 tors. eta vs tors. theta energy: -7.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -391.355282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.355282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.355282 (E_RNA) where: Base-Base interactions energy: -154.448 where: short stacking energy: -106.883 Base-Backbone interact. energy: 0.049 local terms energy: -236.956493 where: bonds (distance) C4'-P energy: -69.095 bonds (distance) P-C4' energy: -97.834 flat angles C4'-P-C4' energy: -71.290 flat angles P-C4'-P energy: -25.506 tors. eta vs tors. theta energy: 26.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1701.360960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.360960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.360960 (E_RNA) where: Base-Base interactions energy: -1166.555 where: short stacking energy: -515.425 Base-Backbone interact. energy: 0.844 local terms energy: -535.649914 where: bonds (distance) C4'-P energy: -98.829 bonds (distance) P-C4' energy: -92.489 flat angles C4'-P-C4' energy: -110.220 flat angles P-C4'-P energy: -75.459 tors. eta vs tors. theta energy: -158.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1617.167803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.167803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.167803 (E_RNA) where: Base-Base interactions energy: -1123.711 where: short stacking energy: -475.048 Base-Backbone interact. energy: -2.534 local terms energy: -490.922516 where: bonds (distance) C4'-P energy: -91.199 bonds (distance) P-C4' energy: -88.984 flat angles C4'-P-C4' energy: -109.457 flat angles P-C4'-P energy: -63.435 tors. eta vs tors. theta energy: -137.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1482.252152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.252152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.252152 (E_RNA) where: Base-Base interactions energy: -1001.369 where: short stacking energy: -455.939 Base-Backbone interact. energy: -2.253 local terms energy: -478.629910 where: bonds (distance) C4'-P energy: -94.587 bonds (distance) P-C4' energy: -89.865 flat angles C4'-P-C4' energy: -101.658 flat angles P-C4'-P energy: -69.244 tors. eta vs tors. theta energy: -123.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1455.275548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.275548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.275548 (E_RNA) where: Base-Base interactions energy: -997.907 where: short stacking energy: -461.129 Base-Backbone interact. energy: -1.311 local terms energy: -456.058148 where: bonds (distance) C4'-P energy: -74.150 bonds (distance) P-C4' energy: -83.382 flat angles C4'-P-C4' energy: -103.766 flat angles P-C4'-P energy: -65.967 tors. eta vs tors. theta energy: -128.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1408.965672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.965672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.965672 (E_RNA) where: Base-Base interactions energy: -963.522 where: short stacking energy: -433.016 Base-Backbone interact. energy: -4.424 local terms energy: -441.019416 where: bonds (distance) C4'-P energy: -85.865 bonds (distance) P-C4' energy: -72.844 flat angles C4'-P-C4' energy: -100.692 flat angles P-C4'-P energy: -61.547 tors. eta vs tors. theta energy: -120.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1166.987859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.987859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.987859 (E_RNA) where: Base-Base interactions energy: -763.255 where: short stacking energy: -348.176 Base-Backbone interact. energy: -0.637 local terms energy: -403.096089 where: bonds (distance) C4'-P energy: -86.311 bonds (distance) P-C4' energy: -84.499 flat angles C4'-P-C4' energy: -85.306 flat angles P-C4'-P energy: -49.535 tors. eta vs tors. theta energy: -97.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -903.750193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.750193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.750193 (E_RNA) where: Base-Base interactions energy: -543.934 where: short stacking energy: -256.394 Base-Backbone interact. energy: -3.674 local terms energy: -356.142295 where: bonds (distance) C4'-P energy: -72.152 bonds (distance) P-C4' energy: -82.657 flat angles C4'-P-C4' energy: -91.492 flat angles P-C4'-P energy: -55.963 tors. eta vs tors. theta energy: -53.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -713.726376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.726376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.726376 (E_RNA) where: Base-Base interactions energy: -390.576 where: short stacking energy: -216.368 Base-Backbone interact. energy: -2.571 local terms energy: -320.578935 where: bonds (distance) C4'-P energy: -80.491 bonds (distance) P-C4' energy: -87.159 flat angles C4'-P-C4' energy: -63.649 flat angles P-C4'-P energy: -64.928 tors. eta vs tors. theta energy: -24.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -586.286934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.286934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.286934 (E_RNA) where: Base-Base interactions energy: -282.782 where: short stacking energy: -177.084 Base-Backbone interact. energy: 0.015 local terms energy: -303.520669 where: bonds (distance) C4'-P energy: -91.105 bonds (distance) P-C4' energy: -80.247 flat angles C4'-P-C4' energy: -73.876 flat angles P-C4'-P energy: -43.767 tors. eta vs tors. theta energy: -14.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -380.077790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.077790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.077790 (E_RNA) where: Base-Base interactions energy: -139.022 where: short stacking energy: -109.664 Base-Backbone interact. energy: -1.456 local terms energy: -239.600171 where: bonds (distance) C4'-P energy: -72.251 bonds (distance) P-C4' energy: -75.242 flat angles C4'-P-C4' energy: -65.330 flat angles P-C4'-P energy: -41.506 tors. eta vs tors. theta energy: 14.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1731.423746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.423746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.423746 (E_RNA) where: Base-Base interactions energy: -1197.087 where: short stacking energy: -521.606 Base-Backbone interact. energy: -1.959 local terms energy: -532.377706 where: bonds (distance) C4'-P energy: -92.288 bonds (distance) P-C4' energy: -96.148 flat angles C4'-P-C4' energy: -105.882 flat angles P-C4'-P energy: -69.480 tors. eta vs tors. theta energy: -168.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1633.263446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.263446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.263446 (E_RNA) where: Base-Base interactions energy: -1126.076 where: short stacking energy: -482.621 Base-Backbone interact. energy: -2.436 local terms energy: -504.750774 where: bonds (distance) C4'-P energy: -78.401 bonds (distance) P-C4' energy: -101.319 flat angles C4'-P-C4' energy: -101.357 flat angles P-C4'-P energy: -78.982 tors. eta vs tors. theta energy: -144.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1508.430135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.430135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.430135 (E_RNA) where: Base-Base interactions energy: -1030.081 where: short stacking energy: -453.110 Base-Backbone interact. energy: -5.111 local terms energy: -473.238424 where: bonds (distance) C4'-P energy: -73.831 bonds (distance) P-C4' energy: -101.886 flat angles C4'-P-C4' energy: -90.243 flat angles P-C4'-P energy: -75.807 tors. eta vs tors. theta energy: -131.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1450.373152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.373152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.373152 (E_RNA) where: Base-Base interactions energy: -981.544 where: short stacking energy: -446.994 Base-Backbone interact. energy: -3.066 local terms energy: -465.762936 where: bonds (distance) C4'-P energy: -94.174 bonds (distance) P-C4' energy: -77.294 flat angles C4'-P-C4' energy: -101.822 flat angles P-C4'-P energy: -60.271 tors. eta vs tors. theta energy: -132.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1326.802086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.802086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.802086 (E_RNA) where: Base-Base interactions energy: -896.855 where: short stacking energy: -394.921 Base-Backbone interact. energy: 1.589 local terms energy: -431.536209 where: bonds (distance) C4'-P energy: -80.761 bonds (distance) P-C4' energy: -91.909 flat angles C4'-P-C4' energy: -97.299 flat angles P-C4'-P energy: -64.051 tors. eta vs tors. theta energy: -97.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1167.295458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.295458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.295458 (E_RNA) where: Base-Base interactions energy: -772.975 where: short stacking energy: -367.314 Base-Backbone interact. energy: 2.284 local terms energy: -396.605106 where: bonds (distance) C4'-P energy: -82.302 bonds (distance) P-C4' energy: -69.366 flat angles C4'-P-C4' energy: -91.892 flat angles P-C4'-P energy: -42.042 tors. eta vs tors. theta energy: -111.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -930.435251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.435251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.435251 (E_RNA) where: Base-Base interactions energy: -581.750 where: short stacking energy: -290.527 Base-Backbone interact. energy: 0.353 local terms energy: -349.038413 where: bonds (distance) C4'-P energy: -85.685 bonds (distance) P-C4' energy: -69.614 flat angles C4'-P-C4' energy: -81.601 flat angles P-C4'-P energy: -55.944 tors. eta vs tors. theta energy: -56.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -725.084300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.084300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.084300 (E_RNA) where: Base-Base interactions energy: -405.486 where: short stacking energy: -218.575 Base-Backbone interact. energy: 1.632 local terms energy: -321.229612 where: bonds (distance) C4'-P energy: -87.887 bonds (distance) P-C4' energy: -83.645 flat angles C4'-P-C4' energy: -71.025 flat angles P-C4'-P energy: -46.228 tors. eta vs tors. theta energy: -32.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -500.232393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.232393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.232393 (E_RNA) where: Base-Base interactions energy: -242.458 where: short stacking energy: -159.073 Base-Backbone interact. energy: 2.721 local terms energy: -260.495298 where: bonds (distance) C4'-P energy: -69.549 bonds (distance) P-C4' energy: -69.249 flat angles C4'-P-C4' energy: -68.539 flat angles P-C4'-P energy: -43.997 tors. eta vs tors. theta energy: -9.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -496.195723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.195723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.195723 (E_RNA) where: Base-Base interactions energy: -256.786 where: short stacking energy: -155.009 Base-Backbone interact. energy: 2.254 local terms energy: -241.663659 where: bonds (distance) C4'-P energy: -73.705 bonds (distance) P-C4' energy: -78.420 flat angles C4'-P-C4' energy: -54.911 flat angles P-C4'-P energy: -27.890 tors. eta vs tors. theta energy: -6.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1719.324597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.324597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.324597 (E_RNA) where: Base-Base interactions energy: -1206.058 where: short stacking energy: -517.619 Base-Backbone interact. energy: -0.930 local terms energy: -512.336728 where: bonds (distance) C4'-P energy: -94.798 bonds (distance) P-C4' energy: -86.832 flat angles C4'-P-C4' energy: -98.015 flat angles P-C4'-P energy: -73.924 tors. eta vs tors. theta energy: -158.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1648.189794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.189794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.189794 (E_RNA) where: Base-Base interactions energy: -1152.807 where: short stacking energy: -479.215 Base-Backbone interact. energy: -3.444 local terms energy: -491.938665 where: bonds (distance) C4'-P energy: -93.285 bonds (distance) P-C4' energy: -91.282 flat angles C4'-P-C4' energy: -99.671 flat angles P-C4'-P energy: -68.501 tors. eta vs tors. theta energy: -139.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1489.150061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.150061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.150061 (E_RNA) where: Base-Base interactions energy: -1020.646 where: short stacking energy: -448.313 Base-Backbone interact. energy: -1.297 local terms energy: -467.207023 where: bonds (distance) C4'-P energy: -88.106 bonds (distance) P-C4' energy: -91.969 flat angles C4'-P-C4' energy: -94.607 flat angles P-C4'-P energy: -63.754 tors. eta vs tors. theta energy: -128.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1411.951655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.951655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.951655 (E_RNA) where: Base-Base interactions energy: -951.943 where: short stacking energy: -424.226 Base-Backbone interact. energy: 0.148 local terms energy: -460.156593 where: bonds (distance) C4'-P energy: -82.727 bonds (distance) P-C4' energy: -89.285 flat angles C4'-P-C4' energy: -106.390 flat angles P-C4'-P energy: -61.242 tors. eta vs tors. theta energy: -120.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1380.400829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.400829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.400829 (E_RNA) where: Base-Base interactions energy: -932.504 where: short stacking energy: -409.647 Base-Backbone interact. energy: -0.407 local terms energy: -447.489927 where: bonds (distance) C4'-P energy: -76.904 bonds (distance) P-C4' energy: -86.353 flat angles C4'-P-C4' energy: -94.851 flat angles P-C4'-P energy: -73.114 tors. eta vs tors. theta energy: -116.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1202.672607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.672607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.672607 (E_RNA) where: Base-Base interactions energy: -789.279 where: short stacking energy: -337.493 Base-Backbone interact. energy: -2.350 local terms energy: -411.044000 where: bonds (distance) C4'-P energy: -90.686 bonds (distance) P-C4' energy: -88.986 flat angles C4'-P-C4' energy: -92.883 flat angles P-C4'-P energy: -61.825 tors. eta vs tors. theta energy: -76.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -946.659757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.659757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.659757 (E_RNA) where: Base-Base interactions energy: -601.761 where: short stacking energy: -302.901 Base-Backbone interact. energy: -1.796 local terms energy: -343.102787 where: bonds (distance) C4'-P energy: -81.803 bonds (distance) P-C4' energy: -84.252 flat angles C4'-P-C4' energy: -68.937 flat angles P-C4'-P energy: -47.914 tors. eta vs tors. theta energy: -60.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -715.195434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.195434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.195434 (E_RNA) where: Base-Base interactions energy: -380.755 where: short stacking energy: -200.555 Base-Backbone interact. energy: 4.160 local terms energy: -338.600606 where: bonds (distance) C4'-P energy: -83.245 bonds (distance) P-C4' energy: -88.658 flat angles C4'-P-C4' energy: -86.180 flat angles P-C4'-P energy: -53.555 tors. eta vs tors. theta energy: -26.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -549.645058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.645058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.645058 (E_RNA) where: Base-Base interactions energy: -268.168 where: short stacking energy: -171.010 Base-Backbone interact. energy: 0.184 local terms energy: -281.661496 where: bonds (distance) C4'-P energy: -81.532 bonds (distance) P-C4' energy: -65.051 flat angles C4'-P-C4' energy: -76.869 flat angles P-C4'-P energy: -32.307 tors. eta vs tors. theta energy: -25.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -482.716508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.716508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.716508 (E_RNA) where: Base-Base interactions energy: -239.679 where: short stacking energy: -128.410 Base-Backbone interact. energy: 2.479 local terms energy: -245.517045 where: bonds (distance) C4'-P energy: -74.852 bonds (distance) P-C4' energy: -90.745 flat angles C4'-P-C4' energy: -65.132 flat angles P-C4'-P energy: -23.411 tors. eta vs tors. theta energy: 8.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1721.001403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.001403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.001403 (E_RNA) where: Base-Base interactions energy: -1177.942 where: short stacking energy: -516.030 Base-Backbone interact. energy: -1.688 local terms energy: -541.371020 where: bonds (distance) C4'-P energy: -106.667 bonds (distance) P-C4' energy: -95.344 flat angles C4'-P-C4' energy: -113.813 flat angles P-C4'-P energy: -67.044 tors. eta vs tors. theta energy: -158.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1570.573915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.573915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.573915 (E_RNA) where: Base-Base interactions energy: -1051.904 where: short stacking energy: -469.930 Base-Backbone interact. energy: -2.283 local terms energy: -516.387093 where: bonds (distance) C4'-P energy: -94.667 bonds (distance) P-C4' energy: -102.891 flat angles C4'-P-C4' energy: -110.712 flat angles P-C4'-P energy: -71.942 tors. eta vs tors. theta energy: -136.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1492.132604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.132604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.132604 (E_RNA) where: Base-Base interactions energy: -1011.145 where: short stacking energy: -441.460 Base-Backbone interact. energy: 1.359 local terms energy: -482.346737 where: bonds (distance) C4'-P energy: -103.666 bonds (distance) P-C4' energy: -83.806 flat angles C4'-P-C4' energy: -103.072 flat angles P-C4'-P energy: -61.655 tors. eta vs tors. theta energy: -130.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1429.591851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.591851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.591851 (E_RNA) where: Base-Base interactions energy: -993.330 where: short stacking energy: -436.766 Base-Backbone interact. energy: -2.536 local terms energy: -433.725704 where: bonds (distance) C4'-P energy: -72.660 bonds (distance) P-C4' energy: -81.532 flat angles C4'-P-C4' energy: -95.534 flat angles P-C4'-P energy: -64.337 tors. eta vs tors. theta energy: -119.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1352.109712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.109712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.109712 (E_RNA) where: Base-Base interactions energy: -918.744 where: short stacking energy: -434.770 Base-Backbone interact. energy: -2.420 local terms energy: -430.945891 where: bonds (distance) C4'-P energy: -82.866 bonds (distance) P-C4' energy: -79.129 flat angles C4'-P-C4' energy: -98.782 flat angles P-C4'-P energy: -51.069 tors. eta vs tors. theta energy: -119.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1233.877271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.877271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.877271 (E_RNA) where: Base-Base interactions energy: -793.235 where: short stacking energy: -379.940 Base-Backbone interact. energy: -1.336 local terms energy: -439.306360 where: bonds (distance) C4'-P energy: -88.539 bonds (distance) P-C4' energy: -84.456 flat angles C4'-P-C4' energy: -95.867 flat angles P-C4'-P energy: -60.965 tors. eta vs tors. theta energy: -109.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -914.100227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.100227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.100227 (E_RNA) where: Base-Base interactions energy: -560.194 where: short stacking energy: -269.166 Base-Backbone interact. energy: -2.454 local terms energy: -351.452273 where: bonds (distance) C4'-P energy: -96.011 bonds (distance) P-C4' energy: -71.527 flat angles C4'-P-C4' energy: -74.490 flat angles P-C4'-P energy: -50.905 tors. eta vs tors. theta energy: -58.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -698.705550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.705550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.705550 (E_RNA) where: Base-Base interactions energy: -382.448 where: short stacking energy: -196.806 Base-Backbone interact. energy: -0.754 local terms energy: -315.503996 where: bonds (distance) C4'-P energy: -76.871 bonds (distance) P-C4' energy: -83.760 flat angles C4'-P-C4' energy: -80.946 flat angles P-C4'-P energy: -47.919 tors. eta vs tors. theta energy: -26.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -531.188217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.188217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.188217 (E_RNA) where: Base-Base interactions energy: -240.949 where: short stacking energy: -155.343 Base-Backbone interact. energy: -0.889 local terms energy: -289.349412 where: bonds (distance) C4'-P energy: -70.038 bonds (distance) P-C4' energy: -93.648 flat angles C4'-P-C4' energy: -69.129 flat angles P-C4'-P energy: -45.114 tors. eta vs tors. theta energy: -11.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -432.039010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.039010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.039010 (E_RNA) where: Base-Base interactions energy: -198.440 where: short stacking energy: -139.439 Base-Backbone interact. energy: 2.503 local terms energy: -236.101846 where: bonds (distance) C4'-P energy: -71.841 bonds (distance) P-C4' energy: -61.912 flat angles C4'-P-C4' energy: -64.918 flat angles P-C4'-P energy: -37.280 tors. eta vs tors. theta energy: -0.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1703.772485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.772485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.772485 (E_RNA) where: Base-Base interactions energy: -1169.945 where: short stacking energy: -515.209 Base-Backbone interact. energy: -1.990 local terms energy: -531.836834 where: bonds (distance) C4'-P energy: -86.763 bonds (distance) P-C4' energy: -91.148 flat angles C4'-P-C4' energy: -106.052 flat angles P-C4'-P energy: -77.115 tors. eta vs tors. theta energy: -170.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1568.540534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.540534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.540534 (E_RNA) where: Base-Base interactions energy: -1076.737 where: short stacking energy: -472.732 Base-Backbone interact. energy: -4.551 local terms energy: -487.252692 where: bonds (distance) C4'-P energy: -93.049 bonds (distance) P-C4' energy: -86.146 flat angles C4'-P-C4' energy: -103.015 flat angles P-C4'-P energy: -70.632 tors. eta vs tors. theta energy: -134.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1453.778073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.778073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.778073 (E_RNA) where: Base-Base interactions energy: -969.340 where: short stacking energy: -427.581 Base-Backbone interact. energy: -0.643 local terms energy: -483.795554 where: bonds (distance) C4'-P energy: -89.936 bonds (distance) P-C4' energy: -93.287 flat angles C4'-P-C4' energy: -94.341 flat angles P-C4'-P energy: -70.664 tors. eta vs tors. theta energy: -135.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1435.123945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.123945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.123945 (E_RNA) where: Base-Base interactions energy: -982.409 where: short stacking energy: -426.490 Base-Backbone interact. energy: -0.099 local terms energy: -452.615385 where: bonds (distance) C4'-P energy: -75.208 bonds (distance) P-C4' energy: -91.150 flat angles C4'-P-C4' energy: -95.354 flat angles P-C4'-P energy: -66.079 tors. eta vs tors. theta energy: -124.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1408.024485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.024485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.024485 (E_RNA) where: Base-Base interactions energy: -968.409 where: short stacking energy: -426.882 Base-Backbone interact. energy: -0.801 local terms energy: -438.813615 where: bonds (distance) C4'-P energy: -72.974 bonds (distance) P-C4' energy: -84.036 flat angles C4'-P-C4' energy: -106.012 flat angles P-C4'-P energy: -54.541 tors. eta vs tors. theta energy: -121.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1242.437384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.437384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.437384 (E_RNA) where: Base-Base interactions energy: -805.914 where: short stacking energy: -390.578 Base-Backbone interact. energy: -1.314 local terms energy: -435.209916 where: bonds (distance) C4'-P energy: -82.533 bonds (distance) P-C4' energy: -91.855 flat angles C4'-P-C4' energy: -96.229 flat angles P-C4'-P energy: -54.460 tors. eta vs tors. theta energy: -110.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -982.508505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.508505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.508505 (E_RNA) where: Base-Base interactions energy: -610.899 where: short stacking energy: -321.120 Base-Backbone interact. energy: -1.238 local terms energy: -370.371056 where: bonds (distance) C4'-P energy: -76.815 bonds (distance) P-C4' energy: -88.303 flat angles C4'-P-C4' energy: -89.204 flat angles P-C4'-P energy: -55.335 tors. eta vs tors. theta energy: -60.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -743.465720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.465720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.465720 (E_RNA) where: Base-Base interactions energy: -435.933 where: short stacking energy: -230.150 Base-Backbone interact. energy: 0.559 local terms energy: -308.091607 where: bonds (distance) C4'-P energy: -74.943 bonds (distance) P-C4' energy: -82.958 flat angles C4'-P-C4' energy: -73.828 flat angles P-C4'-P energy: -43.948 tors. eta vs tors. theta energy: -32.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -520.101522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.101522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.101522 (E_RNA) where: Base-Base interactions energy: -254.055 where: short stacking energy: -171.243 Base-Backbone interact. energy: -2.051 local terms energy: -263.996033 where: bonds (distance) C4'-P energy: -51.840 bonds (distance) P-C4' energy: -94.732 flat angles C4'-P-C4' energy: -65.912 flat angles P-C4'-P energy: -46.313 tors. eta vs tors. theta energy: -5.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -441.203528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.203528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.203528 (E_RNA) where: Base-Base interactions energy: -193.997 where: short stacking energy: -134.855 Base-Backbone interact. energy: -2.259 local terms energy: -244.947079 where: bonds (distance) C4'-P energy: -73.722 bonds (distance) P-C4' energy: -87.458 flat angles C4'-P-C4' energy: -60.006 flat angles P-C4'-P energy: -21.730 tors. eta vs tors. theta energy: -2.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1720.722499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.722499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.722499 (E_RNA) where: Base-Base interactions energy: -1177.583 where: short stacking energy: -521.153 Base-Backbone interact. energy: -1.470 local terms energy: -541.669769 where: bonds (distance) C4'-P energy: -94.122 bonds (distance) P-C4' energy: -99.633 flat angles C4'-P-C4' energy: -107.418 flat angles P-C4'-P energy: -77.808 tors. eta vs tors. theta energy: -162.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1584.406028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.406028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.406028 (E_RNA) where: Base-Base interactions energy: -1105.039 where: short stacking energy: -475.851 Base-Backbone interact. energy: -0.105 local terms energy: -479.262061 where: bonds (distance) C4'-P energy: -84.686 bonds (distance) P-C4' energy: -88.772 flat angles C4'-P-C4' energy: -104.983 flat angles P-C4'-P energy: -63.864 tors. eta vs tors. theta energy: -136.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1464.863567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.863567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.863567 (E_RNA) where: Base-Base interactions energy: -992.397 where: short stacking energy: -437.834 Base-Backbone interact. energy: -0.242 local terms energy: -472.224303 where: bonds (distance) C4'-P energy: -85.133 bonds (distance) P-C4' energy: -81.707 flat angles C4'-P-C4' energy: -104.218 flat angles P-C4'-P energy: -67.387 tors. eta vs tors. theta energy: -133.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1469.540946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.540946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.540946 (E_RNA) where: Base-Base interactions energy: -1017.469 where: short stacking energy: -413.484 Base-Backbone interact. energy: -2.057 local terms energy: -450.014914 where: bonds (distance) C4'-P energy: -83.659 bonds (distance) P-C4' energy: -83.282 flat angles C4'-P-C4' energy: -93.855 flat angles P-C4'-P energy: -70.275 tors. eta vs tors. theta energy: -118.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1454.525064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.525064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.525064 (E_RNA) where: Base-Base interactions energy: -979.798 where: short stacking energy: -426.453 Base-Backbone interact. energy: 0.596 local terms energy: -475.323855 where: bonds (distance) C4'-P energy: -98.971 bonds (distance) P-C4' energy: -90.041 flat angles C4'-P-C4' energy: -99.111 flat angles P-C4'-P energy: -67.987 tors. eta vs tors. theta energy: -119.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1228.152652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.152652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.152652 (E_RNA) where: Base-Base interactions energy: -790.212 where: short stacking energy: -362.287 Base-Backbone interact. energy: -1.499 local terms energy: -436.441818 where: bonds (distance) C4'-P energy: -95.822 bonds (distance) P-C4' energy: -81.680 flat angles C4'-P-C4' energy: -92.746 flat angles P-C4'-P energy: -69.717 tors. eta vs tors. theta energy: -96.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -948.487386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.487386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.487386 (E_RNA) where: Base-Base interactions energy: -599.442 where: short stacking energy: -296.790 Base-Backbone interact. energy: -0.542 local terms energy: -348.503323 where: bonds (distance) C4'-P energy: -79.262 bonds (distance) P-C4' energy: -74.863 flat angles C4'-P-C4' energy: -74.958 flat angles P-C4'-P energy: -51.149 tors. eta vs tors. theta energy: -68.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -752.692779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.692779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.692779 (E_RNA) where: Base-Base interactions energy: -454.379 where: short stacking energy: -249.120 Base-Backbone interact. energy: 1.010 local terms energy: -299.324244 where: bonds (distance) C4'-P energy: -73.802 bonds (distance) P-C4' energy: -82.786 flat angles C4'-P-C4' energy: -71.617 flat angles P-C4'-P energy: -43.966 tors. eta vs tors. theta energy: -27.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -508.078260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.078260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.078260 (E_RNA) where: Base-Base interactions energy: -246.333 where: short stacking energy: -180.159 Base-Backbone interact. energy: -1.305 local terms energy: -260.440161 where: bonds (distance) C4'-P energy: -59.219 bonds (distance) P-C4' energy: -77.941 flat angles C4'-P-C4' energy: -75.495 flat angles P-C4'-P energy: -40.559 tors. eta vs tors. theta energy: -7.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -428.702865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.702865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.702865 (E_RNA) where: Base-Base interactions energy: -183.547 where: short stacking energy: -118.447 Base-Backbone interact. energy: 3.465 local terms energy: -248.621400 where: bonds (distance) C4'-P energy: -68.453 bonds (distance) P-C4' energy: -68.214 flat angles C4'-P-C4' energy: -73.253 flat angles P-C4'-P energy: -42.258 tors. eta vs tors. theta energy: 3.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1726.311883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.311883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.311883 (E_RNA) where: Base-Base interactions energy: -1189.577 where: short stacking energy: -518.634 Base-Backbone interact. energy: -2.990 local terms energy: -533.744754 where: bonds (distance) C4'-P energy: -99.393 bonds (distance) P-C4' energy: -84.473 flat angles C4'-P-C4' energy: -111.193 flat angles P-C4'-P energy: -79.097 tors. eta vs tors. theta energy: -159.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1554.252003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.252003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.252003 (E_RNA) where: Base-Base interactions energy: -1055.898 where: short stacking energy: -476.642 Base-Backbone interact. energy: -1.567 local terms energy: -496.787079 where: bonds (distance) C4'-P energy: -91.601 bonds (distance) P-C4' energy: -89.527 flat angles C4'-P-C4' energy: -104.441 flat angles P-C4'-P energy: -74.523 tors. eta vs tors. theta energy: -136.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1479.856936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.856936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.856936 (E_RNA) where: Base-Base interactions energy: -1008.486 where: short stacking energy: -424.852 Base-Backbone interact. energy: -2.712 local terms energy: -468.659086 where: bonds (distance) C4'-P energy: -87.146 bonds (distance) P-C4' energy: -91.755 flat angles C4'-P-C4' energy: -102.470 flat angles P-C4'-P energy: -62.937 tors. eta vs tors. theta energy: -124.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1466.568778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.568778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.568778 (E_RNA) where: Base-Base interactions energy: -991.570 where: short stacking energy: -443.021 Base-Backbone interact. energy: -3.622 local terms energy: -471.377334 where: bonds (distance) C4'-P energy: -100.407 bonds (distance) P-C4' energy: -82.192 flat angles C4'-P-C4' energy: -91.665 flat angles P-C4'-P energy: -72.398 tors. eta vs tors. theta energy: -124.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1422.910831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.910831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.910831 (E_RNA) where: Base-Base interactions energy: -982.983 where: short stacking energy: -441.559 Base-Backbone interact. energy: -0.426 local terms energy: -439.502707 where: bonds (distance) C4'-P energy: -80.880 bonds (distance) P-C4' energy: -98.444 flat angles C4'-P-C4' energy: -92.957 flat angles P-C4'-P energy: -40.663 tors. eta vs tors. theta energy: -126.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1268.464436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.464436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.464436 (E_RNA) where: Base-Base interactions energy: -842.115 where: short stacking energy: -390.469 Base-Backbone interact. energy: 1.261 local terms energy: -427.609959 where: bonds (distance) C4'-P energy: -86.491 bonds (distance) P-C4' energy: -86.947 flat angles C4'-P-C4' energy: -91.179 flat angles P-C4'-P energy: -61.187 tors. eta vs tors. theta energy: -101.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -958.592573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.592573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.592573 (E_RNA) where: Base-Base interactions energy: -584.278 where: short stacking energy: -287.488 Base-Backbone interact. energy: 2.143 local terms energy: -376.457548 where: bonds (distance) C4'-P energy: -85.566 bonds (distance) P-C4' energy: -85.678 flat angles C4'-P-C4' energy: -90.456 flat angles P-C4'-P energy: -55.124 tors. eta vs tors. theta energy: -59.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -731.002809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.002809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.002809 (E_RNA) where: Base-Base interactions energy: -426.945 where: short stacking energy: -213.511 Base-Backbone interact. energy: 3.642 local terms energy: -307.700690 where: bonds (distance) C4'-P energy: -58.117 bonds (distance) P-C4' energy: -93.125 flat angles C4'-P-C4' energy: -89.339 flat angles P-C4'-P energy: -44.073 tors. eta vs tors. theta energy: -23.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -479.450408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.450408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.450408 (E_RNA) where: Base-Base interactions energy: -208.016 where: short stacking energy: -137.450 Base-Backbone interact. energy: 5.765 local terms energy: -277.199263 where: bonds (distance) C4'-P energy: -79.261 bonds (distance) P-C4' energy: -70.156 flat angles C4'-P-C4' energy: -66.776 flat angles P-C4'-P energy: -58.304 tors. eta vs tors. theta energy: -2.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -450.068147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.068147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.068147 (E_RNA) where: Base-Base interactions energy: -204.059 where: short stacking energy: -144.835 Base-Backbone interact. energy: 2.942 local terms energy: -248.951337 where: bonds (distance) C4'-P energy: -72.059 bonds (distance) P-C4' energy: -78.917 flat angles C4'-P-C4' energy: -67.616 flat angles P-C4'-P energy: -27.344 tors. eta vs tors. theta energy: -3.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1721.447495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.447495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.447495 (E_RNA) where: Base-Base interactions energy: -1163.584 where: short stacking energy: -529.242 Base-Backbone interact. energy: 0.962 local terms energy: -558.825422 where: bonds (distance) C4'-P energy: -99.104 bonds (distance) P-C4' energy: -99.920 flat angles C4'-P-C4' energy: -113.666 flat angles P-C4'-P energy: -83.425 tors. eta vs tors. theta energy: -162.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1576.471863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.471863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.471863 (E_RNA) where: Base-Base interactions energy: -1085.873 where: short stacking energy: -478.482 Base-Backbone interact. energy: 0.558 local terms energy: -491.156555 where: bonds (distance) C4'-P energy: -86.675 bonds (distance) P-C4' energy: -91.150 flat angles C4'-P-C4' energy: -110.724 flat angles P-C4'-P energy: -68.687 tors. eta vs tors. theta energy: -133.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1500.554147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.554147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.554147 (E_RNA) where: Base-Base interactions energy: -1018.842 where: short stacking energy: -438.761 Base-Backbone interact. energy: -5.040 local terms energy: -476.671704 where: bonds (distance) C4'-P energy: -88.545 bonds (distance) P-C4' energy: -88.852 flat angles C4'-P-C4' energy: -103.571 flat angles P-C4'-P energy: -61.916 tors. eta vs tors. theta energy: -133.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1441.882615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.882615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.882615 (E_RNA) where: Base-Base interactions energy: -960.212 where: short stacking energy: -431.736 Base-Backbone interact. energy: -0.436 local terms energy: -481.234384 where: bonds (distance) C4'-P energy: -93.500 bonds (distance) P-C4' energy: -101.124 flat angles C4'-P-C4' energy: -95.166 flat angles P-C4'-P energy: -63.945 tors. eta vs tors. theta energy: -127.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1429.285219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.285219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.285219 (E_RNA) where: Base-Base interactions energy: -972.114 where: short stacking energy: -433.165 Base-Backbone interact. energy: -1.653 local terms energy: -455.517597 where: bonds (distance) C4'-P energy: -88.323 bonds (distance) P-C4' energy: -85.765 flat angles C4'-P-C4' energy: -80.757 flat angles P-C4'-P energy: -66.577 tors. eta vs tors. theta energy: -134.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1253.885094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.885094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.885094 (E_RNA) where: Base-Base interactions energy: -847.163 where: short stacking energy: -356.409 Base-Backbone interact. energy: -0.167 local terms energy: -406.554853 where: bonds (distance) C4'-P energy: -67.297 bonds (distance) P-C4' energy: -91.594 flat angles C4'-P-C4' energy: -91.447 flat angles P-C4'-P energy: -56.123 tors. eta vs tors. theta energy: -100.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -977.701261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.701261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.701261 (E_RNA) where: Base-Base interactions energy: -634.161 where: short stacking energy: -290.615 Base-Backbone interact. energy: -2.544 local terms energy: -340.996266 where: bonds (distance) C4'-P energy: -65.730 bonds (distance) P-C4' energy: -90.560 flat angles C4'-P-C4' energy: -68.656 flat angles P-C4'-P energy: -54.739 tors. eta vs tors. theta energy: -61.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -823.417043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.417043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.417043 (E_RNA) where: Base-Base interactions energy: -514.439 where: short stacking energy: -262.581 Base-Backbone interact. energy: 3.575 local terms energy: -312.552467 where: bonds (distance) C4'-P energy: -67.718 bonds (distance) P-C4' energy: -75.227 flat angles C4'-P-C4' energy: -84.172 flat angles P-C4'-P energy: -49.793 tors. eta vs tors. theta energy: -35.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -522.896809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.896809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.896809 (E_RNA) where: Base-Base interactions energy: -228.518 where: short stacking energy: -151.317 Base-Backbone interact. energy: 0.224 local terms energy: -294.603587 where: bonds (distance) C4'-P energy: -80.268 bonds (distance) P-C4' energy: -100.548 flat angles C4'-P-C4' energy: -75.128 flat angles P-C4'-P energy: -34.321 tors. eta vs tors. theta energy: -4.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -429.410679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.410679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.410679 (E_RNA) where: Base-Base interactions energy: -190.932 where: short stacking energy: -129.766 Base-Backbone interact. energy: 0.034 local terms energy: -238.512294 where: bonds (distance) C4'-P energy: -58.273 bonds (distance) P-C4' energy: -83.707 flat angles C4'-P-C4' energy: -56.185 flat angles P-C4'-P energy: -41.223 tors. eta vs tors. theta energy: 0.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1729.054374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.054374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.054374 (E_RNA) where: Base-Base interactions energy: -1167.945 where: short stacking energy: -516.808 Base-Backbone interact. energy: -2.890 local terms energy: -558.218736 where: bonds (distance) C4'-P energy: -102.352 bonds (distance) P-C4' energy: -93.309 flat angles C4'-P-C4' energy: -120.241 flat angles P-C4'-P energy: -79.913 tors. eta vs tors. theta energy: -162.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1589.519878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.519878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.519878 (E_RNA) where: Base-Base interactions energy: -1102.537 where: short stacking energy: -478.098 Base-Backbone interact. energy: 0.450 local terms energy: -487.433348 where: bonds (distance) C4'-P energy: -95.822 bonds (distance) P-C4' energy: -84.073 flat angles C4'-P-C4' energy: -102.962 flat angles P-C4'-P energy: -66.786 tors. eta vs tors. theta energy: -137.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1505.211204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.211204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.211204 (E_RNA) where: Base-Base interactions energy: -1022.821 where: short stacking energy: -437.383 Base-Backbone interact. energy: -1.650 local terms energy: -480.740138 where: bonds (distance) C4'-P energy: -88.436 bonds (distance) P-C4' energy: -91.231 flat angles C4'-P-C4' energy: -95.852 flat angles P-C4'-P energy: -78.751 tors. eta vs tors. theta energy: -126.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1463.900205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.900205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.900205 (E_RNA) where: Base-Base interactions energy: -984.930 where: short stacking energy: -434.618 Base-Backbone interact. energy: 0.031 local terms energy: -479.001131 where: bonds (distance) C4'-P energy: -85.187 bonds (distance) P-C4' energy: -99.077 flat angles C4'-P-C4' energy: -97.022 flat angles P-C4'-P energy: -66.863 tors. eta vs tors. theta energy: -130.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1443.409773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.409773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.409773 (E_RNA) where: Base-Base interactions energy: -977.389 where: short stacking energy: -431.601 Base-Backbone interact. energy: -1.975 local terms energy: -464.046137 where: bonds (distance) C4'-P energy: -78.978 bonds (distance) P-C4' energy: -90.082 flat angles C4'-P-C4' energy: -97.543 flat angles P-C4'-P energy: -82.288 tors. eta vs tors. theta energy: -115.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1301.249926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.249926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.249926 (E_RNA) where: Base-Base interactions energy: -898.278 where: short stacking energy: -365.972 Base-Backbone interact. energy: 0.113 local terms energy: -403.084072 where: bonds (distance) C4'-P energy: -78.919 bonds (distance) P-C4' energy: -78.024 flat angles C4'-P-C4' energy: -87.001 flat angles P-C4'-P energy: -55.144 tors. eta vs tors. theta energy: -103.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -969.847316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.847316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.847316 (E_RNA) where: Base-Base interactions energy: -618.104 where: short stacking energy: -287.877 Base-Backbone interact. energy: -3.033 local terms energy: -348.710589 where: bonds (distance) C4'-P energy: -84.817 bonds (distance) P-C4' energy: -69.582 flat angles C4'-P-C4' energy: -77.615 flat angles P-C4'-P energy: -52.017 tors. eta vs tors. theta energy: -64.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -801.853635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.853635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.853635 (E_RNA) where: Base-Base interactions energy: -481.416 where: short stacking energy: -250.640 Base-Backbone interact. energy: 1.032 local terms energy: -321.469940 where: bonds (distance) C4'-P energy: -71.043 bonds (distance) P-C4' energy: -92.004 flat angles C4'-P-C4' energy: -75.093 flat angles P-C4'-P energy: -45.917 tors. eta vs tors. theta energy: -37.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -499.896171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.896171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.896171 (E_RNA) where: Base-Base interactions energy: -222.780 where: short stacking energy: -136.166 Base-Backbone interact. energy: 3.107 local terms energy: -280.223831 where: bonds (distance) C4'-P energy: -76.154 bonds (distance) P-C4' energy: -84.123 flat angles C4'-P-C4' energy: -76.217 flat angles P-C4'-P energy: -42.483 tors. eta vs tors. theta energy: -1.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -500.030032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.030032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.030032 (E_RNA) where: Base-Base interactions energy: -241.320 where: short stacking energy: -148.573 Base-Backbone interact. energy: 0.767 local terms energy: -259.477422 where: bonds (distance) C4'-P energy: -63.913 bonds (distance) P-C4' energy: -84.067 flat angles C4'-P-C4' energy: -83.185 flat angles P-C4'-P energy: -27.062 tors. eta vs tors. theta energy: -1.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1747.740970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.740970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.740970 (E_RNA) where: Base-Base interactions energy: -1187.148 where: short stacking energy: -526.102 Base-Backbone interact. energy: 0.047 local terms energy: -560.640235 where: bonds (distance) C4'-P energy: -98.957 bonds (distance) P-C4' energy: -95.187 flat angles C4'-P-C4' energy: -116.774 flat angles P-C4'-P energy: -82.435 tors. eta vs tors. theta energy: -167.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1579.642747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.642747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.642747 (E_RNA) where: Base-Base interactions energy: -1090.608 where: short stacking energy: -474.226 Base-Backbone interact. energy: -3.126 local terms energy: -485.908431 where: bonds (distance) C4'-P energy: -88.798 bonds (distance) P-C4' energy: -92.997 flat angles C4'-P-C4' energy: -100.724 flat angles P-C4'-P energy: -62.331 tors. eta vs tors. theta energy: -141.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1526.471099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.471099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.471099 (E_RNA) where: Base-Base interactions energy: -1033.908 where: short stacking energy: -445.147 Base-Backbone interact. energy: -0.963 local terms energy: -491.600460 where: bonds (distance) C4'-P energy: -88.897 bonds (distance) P-C4' energy: -99.617 flat angles C4'-P-C4' energy: -99.859 flat angles P-C4'-P energy: -63.051 tors. eta vs tors. theta energy: -140.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1476.551771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.551771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.551771 (E_RNA) where: Base-Base interactions energy: -1015.675 where: short stacking energy: -452.671 Base-Backbone interact. energy: -1.984 local terms energy: -458.892471 where: bonds (distance) C4'-P energy: -82.971 bonds (distance) P-C4' energy: -83.629 flat angles C4'-P-C4' energy: -102.611 flat angles P-C4'-P energy: -63.759 tors. eta vs tors. theta energy: -125.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1435.020400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.020400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.020400 (E_RNA) where: Base-Base interactions energy: -992.364 where: short stacking energy: -432.256 Base-Backbone interact. energy: -1.225 local terms energy: -441.432121 where: bonds (distance) C4'-P energy: -79.545 bonds (distance) P-C4' energy: -76.516 flat angles C4'-P-C4' energy: -98.778 flat angles P-C4'-P energy: -64.233 tors. eta vs tors. theta energy: -122.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1277.899787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.899787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.899787 (E_RNA) where: Base-Base interactions energy: -832.471 where: short stacking energy: -378.971 Base-Backbone interact. energy: -1.328 local terms energy: -444.100783 where: bonds (distance) C4'-P energy: -78.992 bonds (distance) P-C4' energy: -92.249 flat angles C4'-P-C4' energy: -105.013 flat angles P-C4'-P energy: -64.612 tors. eta vs tors. theta energy: -103.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -965.496353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.496353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.496353 (E_RNA) where: Base-Base interactions energy: -599.184 where: short stacking energy: -266.207 Base-Backbone interact. energy: -2.585 local terms energy: -363.726805 where: bonds (distance) C4'-P energy: -80.000 bonds (distance) P-C4' energy: -88.315 flat angles C4'-P-C4' energy: -79.399 flat angles P-C4'-P energy: -52.837 tors. eta vs tors. theta energy: -63.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -738.203592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.203592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.203592 (E_RNA) where: Base-Base interactions energy: -434.190 where: short stacking energy: -211.145 Base-Backbone interact. energy: -1.417 local terms energy: -302.596292 where: bonds (distance) C4'-P energy: -76.976 bonds (distance) P-C4' energy: -75.479 flat angles C4'-P-C4' energy: -80.237 flat angles P-C4'-P energy: -44.615 tors. eta vs tors. theta energy: -25.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -535.661312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.661312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.661312 (E_RNA) where: Base-Base interactions energy: -275.428 where: short stacking energy: -167.651 Base-Backbone interact. energy: -0.691 local terms energy: -259.542635 where: bonds (distance) C4'-P energy: -74.829 bonds (distance) P-C4' energy: -79.826 flat angles C4'-P-C4' energy: -64.039 flat angles P-C4'-P energy: -39.311 tors. eta vs tors. theta energy: -1.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -467.514360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.514360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.514360 (E_RNA) where: Base-Base interactions energy: -200.724 where: short stacking energy: -124.842 Base-Backbone interact. energy: 6.180 local terms energy: -272.970995 where: bonds (distance) C4'-P energy: -67.090 bonds (distance) P-C4' energy: -91.481 flat angles C4'-P-C4' energy: -68.990 flat angles P-C4'-P energy: -46.241 tors. eta vs tors. theta energy: 0.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1718.273316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.273316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.273316 (E_RNA) where: Base-Base interactions energy: -1170.859 where: short stacking energy: -514.713 Base-Backbone interact. energy: -0.716 local terms energy: -546.698390 where: bonds (distance) C4'-P energy: -84.381 bonds (distance) P-C4' energy: -102.100 flat angles C4'-P-C4' energy: -116.581 flat angles P-C4'-P energy: -80.022 tors. eta vs tors. theta energy: -163.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1586.483719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.483719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.483719 (E_RNA) where: Base-Base interactions energy: -1094.367 where: short stacking energy: -467.414 Base-Backbone interact. energy: -2.764 local terms energy: -489.352891 where: bonds (distance) C4'-P energy: -78.158 bonds (distance) P-C4' energy: -101.229 flat angles C4'-P-C4' energy: -111.343 flat angles P-C4'-P energy: -67.025 tors. eta vs tors. theta energy: -131.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1544.379062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.379062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.379062 (E_RNA) where: Base-Base interactions energy: -1064.052 where: short stacking energy: -461.432 Base-Backbone interact. energy: -2.535 local terms energy: -477.792094 where: bonds (distance) C4'-P energy: -92.248 bonds (distance) P-C4' energy: -87.384 flat angles C4'-P-C4' energy: -102.970 flat angles P-C4'-P energy: -68.321 tors. eta vs tors. theta energy: -126.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1461.676543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.676543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.676543 (E_RNA) where: Base-Base interactions energy: -1003.479 where: short stacking energy: -433.775 Base-Backbone interact. energy: -1.694 local terms energy: -456.504233 where: bonds (distance) C4'-P energy: -71.482 bonds (distance) P-C4' energy: -97.737 flat angles C4'-P-C4' energy: -101.776 flat angles P-C4'-P energy: -63.376 tors. eta vs tors. theta energy: -122.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1404.359960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.359960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.359960 (E_RNA) where: Base-Base interactions energy: -961.457 where: short stacking energy: -425.876 Base-Backbone interact. energy: -1.473 local terms energy: -441.429906 where: bonds (distance) C4'-P energy: -81.115 bonds (distance) P-C4' energy: -75.555 flat angles C4'-P-C4' energy: -97.110 flat angles P-C4'-P energy: -64.950 tors. eta vs tors. theta energy: -122.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1249.496205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.496205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.496205 (E_RNA) where: Base-Base interactions energy: -820.228 where: short stacking energy: -336.224 Base-Backbone interact. energy: -0.950 local terms energy: -428.317856 where: bonds (distance) C4'-P energy: -78.478 bonds (distance) P-C4' energy: -90.850 flat angles C4'-P-C4' energy: -96.516 flat angles P-C4'-P energy: -70.416 tors. eta vs tors. theta energy: -92.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1009.302063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.302063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.302063 (E_RNA) where: Base-Base interactions energy: -632.868 where: short stacking energy: -300.399 Base-Backbone interact. energy: 5.247 local terms energy: -381.680133 where: bonds (distance) C4'-P energy: -82.193 bonds (distance) P-C4' energy: -82.165 flat angles C4'-P-C4' energy: -90.814 flat angles P-C4'-P energy: -61.883 tors. eta vs tors. theta energy: -64.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -753.995412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.995412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.995412 (E_RNA) where: Base-Base interactions energy: -443.599 where: short stacking energy: -241.890 Base-Backbone interact. energy: -0.638 local terms energy: -309.758285 where: bonds (distance) C4'-P energy: -69.547 bonds (distance) P-C4' energy: -73.207 flat angles C4'-P-C4' energy: -72.664 flat angles P-C4'-P energy: -53.310 tors. eta vs tors. theta energy: -41.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -530.406840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.406840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.406840 (E_RNA) where: Base-Base interactions energy: -241.765 where: short stacking energy: -143.636 Base-Backbone interact. energy: 0.377 local terms energy: -289.018459 where: bonds (distance) C4'-P energy: -73.140 bonds (distance) P-C4' energy: -97.190 flat angles C4'-P-C4' energy: -67.043 flat angles P-C4'-P energy: -46.911 tors. eta vs tors. theta energy: -4.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -483.568492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.568492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.568492 (E_RNA) where: Base-Base interactions energy: -233.889 where: short stacking energy: -123.050 Base-Backbone interact. energy: 2.168 local terms energy: -251.847869 where: bonds (distance) C4'-P energy: -67.709 bonds (distance) P-C4' energy: -88.631 flat angles C4'-P-C4' energy: -68.804 flat angles P-C4'-P energy: -25.351 tors. eta vs tors. theta energy: -1.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1714.338952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.338952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.338952 (E_RNA) where: Base-Base interactions energy: -1180.538 where: short stacking energy: -529.072 Base-Backbone interact. energy: -1.320 local terms energy: -532.480527 where: bonds (distance) C4'-P energy: -97.524 bonds (distance) P-C4' energy: -94.041 flat angles C4'-P-C4' energy: -102.256 flat angles P-C4'-P energy: -77.653 tors. eta vs tors. theta energy: -161.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1571.602822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.602822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.602822 (E_RNA) where: Base-Base interactions energy: -1077.139 where: short stacking energy: -473.497 Base-Backbone interact. energy: -1.452 local terms energy: -493.011398 where: bonds (distance) C4'-P energy: -89.602 bonds (distance) P-C4' energy: -80.778 flat angles C4'-P-C4' energy: -114.200 flat angles P-C4'-P energy: -71.122 tors. eta vs tors. theta energy: -137.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1544.309091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.309091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.309091 (E_RNA) where: Base-Base interactions energy: -1072.909 where: short stacking energy: -467.802 Base-Backbone interact. energy: 0.141 local terms energy: -471.540514 where: bonds (distance) C4'-P energy: -80.186 bonds (distance) P-C4' energy: -88.321 flat angles C4'-P-C4' energy: -96.283 flat angles P-C4'-P energy: -76.963 tors. eta vs tors. theta energy: -129.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1466.718525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.718525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.718525 (E_RNA) where: Base-Base interactions energy: -1011.105 where: short stacking energy: -442.665 Base-Backbone interact. energy: -1.065 local terms energy: -454.547643 where: bonds (distance) C4'-P energy: -82.106 bonds (distance) P-C4' energy: -83.170 flat angles C4'-P-C4' energy: -94.728 flat angles P-C4'-P energy: -61.707 tors. eta vs tors. theta energy: -132.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1430.613546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.613546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.613546 (E_RNA) where: Base-Base interactions energy: -978.736 where: short stacking energy: -424.998 Base-Backbone interact. energy: -0.804 local terms energy: -451.073315 where: bonds (distance) C4'-P energy: -85.820 bonds (distance) P-C4' energy: -78.360 flat angles C4'-P-C4' energy: -100.114 flat angles P-C4'-P energy: -62.428 tors. eta vs tors. theta energy: -124.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1241.896911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.896911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.896911 (E_RNA) where: Base-Base interactions energy: -825.145 where: short stacking energy: -374.784 Base-Backbone interact. energy: -0.722 local terms energy: -416.029397 where: bonds (distance) C4'-P energy: -68.966 bonds (distance) P-C4' energy: -91.860 flat angles C4'-P-C4' energy: -96.497 flat angles P-C4'-P energy: -58.680 tors. eta vs tors. theta energy: -100.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1019.612632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.612632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.612632 (E_RNA) where: Base-Base interactions energy: -652.568 where: short stacking energy: -308.158 Base-Backbone interact. energy: -0.607 local terms energy: -366.437073 where: bonds (distance) C4'-P energy: -69.271 bonds (distance) P-C4' energy: -76.334 flat angles C4'-P-C4' energy: -95.744 flat angles P-C4'-P energy: -54.256 tors. eta vs tors. theta energy: -70.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -804.156679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.156679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.156679 (E_RNA) where: Base-Base interactions energy: -452.209 where: short stacking energy: -238.195 Base-Backbone interact. energy: 2.613 local terms energy: -354.560964 where: bonds (distance) C4'-P energy: -80.859 bonds (distance) P-C4' energy: -103.855 flat angles C4'-P-C4' energy: -82.189 flat angles P-C4'-P energy: -45.651 tors. eta vs tors. theta energy: -42.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -485.398667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.398667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.398667 (E_RNA) where: Base-Base interactions energy: -197.888 where: short stacking energy: -126.132 Base-Backbone interact. energy: 1.644 local terms energy: -289.155463 where: bonds (distance) C4'-P energy: -86.573 bonds (distance) P-C4' energy: -91.543 flat angles C4'-P-C4' energy: -69.902 flat angles P-C4'-P energy: -39.020 tors. eta vs tors. theta energy: -2.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -479.867635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.867635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.867635 (E_RNA) where: Base-Base interactions energy: -244.382 where: short stacking energy: -147.384 Base-Backbone interact. energy: -0.416 local terms energy: -235.069945 where: bonds (distance) C4'-P energy: -61.703 bonds (distance) P-C4' energy: -72.460 flat angles C4'-P-C4' energy: -61.476 flat angles P-C4'-P energy: -51.201 tors. eta vs tors. theta energy: 11.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1718.805144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.805144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.805144 (E_RNA) where: Base-Base interactions energy: -1181.801 where: short stacking energy: -511.613 Base-Backbone interact. energy: -1.071 local terms energy: -535.933625 where: bonds (distance) C4'-P energy: -82.914 bonds (distance) P-C4' energy: -93.598 flat angles C4'-P-C4' energy: -112.094 flat angles P-C4'-P energy: -86.185 tors. eta vs tors. theta energy: -161.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1596.796504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.796504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.796504 (E_RNA) where: Base-Base interactions energy: -1113.545 where: short stacking energy: -465.110 Base-Backbone interact. energy: 1.576 local terms energy: -484.827494 where: bonds (distance) C4'-P energy: -78.649 bonds (distance) P-C4' energy: -90.710 flat angles C4'-P-C4' energy: -110.078 flat angles P-C4'-P energy: -68.110 tors. eta vs tors. theta energy: -137.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1523.799849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.799849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.799849 (E_RNA) where: Base-Base interactions energy: -1043.833 where: short stacking energy: -445.209 Base-Backbone interact. energy: -3.774 local terms energy: -476.193647 where: bonds (distance) C4'-P energy: -80.544 bonds (distance) P-C4' energy: -83.063 flat angles C4'-P-C4' energy: -103.571 flat angles P-C4'-P energy: -77.892 tors. eta vs tors. theta energy: -131.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1476.492013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.492013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.492013 (E_RNA) where: Base-Base interactions energy: -1027.610 where: short stacking energy: -449.714 Base-Backbone interact. energy: 0.308 local terms energy: -449.190180 where: bonds (distance) C4'-P energy: -72.173 bonds (distance) P-C4' energy: -93.747 flat angles C4'-P-C4' energy: -98.284 flat angles P-C4'-P energy: -66.251 tors. eta vs tors. theta energy: -118.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1376.399739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.399739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.399739 (E_RNA) where: Base-Base interactions energy: -933.453 where: short stacking energy: -430.827 Base-Backbone interact. energy: -1.161 local terms energy: -441.786211 where: bonds (distance) C4'-P energy: -81.046 bonds (distance) P-C4' energy: -87.657 flat angles C4'-P-C4' energy: -93.339 flat angles P-C4'-P energy: -59.531 tors. eta vs tors. theta energy: -120.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1273.107438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.107438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.107438 (E_RNA) where: Base-Base interactions energy: -841.122 where: short stacking energy: -390.623 Base-Backbone interact. energy: -2.941 local terms energy: -429.044440 where: bonds (distance) C4'-P energy: -64.101 bonds (distance) P-C4' energy: -85.043 flat angles C4'-P-C4' energy: -104.363 flat angles P-C4'-P energy: -62.167 tors. eta vs tors. theta energy: -113.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -839.773671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.773671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.773671 (E_RNA) where: Base-Base interactions energy: -494.096 where: short stacking energy: -256.198 Base-Backbone interact. energy: -0.253 local terms energy: -345.424577 where: bonds (distance) C4'-P energy: -85.620 bonds (distance) P-C4' energy: -87.665 flat angles C4'-P-C4' energy: -69.901 flat angles P-C4'-P energy: -50.847 tors. eta vs tors. theta energy: -51.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -883.840527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.840527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.840527 (E_RNA) where: Base-Base interactions energy: -546.388 where: short stacking energy: -274.050 Base-Backbone interact. energy: -1.630 local terms energy: -335.823002 where: bonds (distance) C4'-P energy: -73.636 bonds (distance) P-C4' energy: -88.127 flat angles C4'-P-C4' energy: -68.779 flat angles P-C4'-P energy: -49.734 tors. eta vs tors. theta energy: -55.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -524.755788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.755788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.755788 (E_RNA) where: Base-Base interactions energy: -255.187 where: short stacking energy: -168.994 Base-Backbone interact. energy: 0.224 local terms energy: -269.793070 where: bonds (distance) C4'-P energy: -93.066 bonds (distance) P-C4' energy: -82.128 flat angles C4'-P-C4' energy: -57.579 flat angles P-C4'-P energy: -37.828 tors. eta vs tors. theta energy: 0.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -472.357571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.357571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.357571 (E_RNA) where: Base-Base interactions energy: -201.770 where: short stacking energy: -138.802 Base-Backbone interact. energy: 0.170 local terms energy: -270.758018 where: bonds (distance) C4'-P energy: -66.454 bonds (distance) P-C4' energy: -81.734 flat angles C4'-P-C4' energy: -89.554 flat angles P-C4'-P energy: -47.266 tors. eta vs tors. theta energy: 14.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1694.730248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.730248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.730248 (E_RNA) where: Base-Base interactions energy: -1170.420 where: short stacking energy: -498.472 Base-Backbone interact. energy: -1.970 local terms energy: -522.340023 where: bonds (distance) C4'-P energy: -94.269 bonds (distance) P-C4' energy: -91.917 flat angles C4'-P-C4' energy: -104.997 flat angles P-C4'-P energy: -78.835 tors. eta vs tors. theta energy: -152.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1589.095410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.095410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.095410 (E_RNA) where: Base-Base interactions energy: -1087.424 where: short stacking energy: -457.097 Base-Backbone interact. energy: -2.905 local terms energy: -498.766706 where: bonds (distance) C4'-P energy: -96.684 bonds (distance) P-C4' energy: -81.249 flat angles C4'-P-C4' energy: -108.220 flat angles P-C4'-P energy: -74.068 tors. eta vs tors. theta energy: -138.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1533.282225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.282225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.282225 (E_RNA) where: Base-Base interactions energy: -1053.194 where: short stacking energy: -470.384 Base-Backbone interact. energy: -2.874 local terms energy: -477.214186 where: bonds (distance) C4'-P energy: -90.160 bonds (distance) P-C4' energy: -92.768 flat angles C4'-P-C4' energy: -89.490 flat angles P-C4'-P energy: -68.532 tors. eta vs tors. theta energy: -136.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1508.146055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.146055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.146055 (E_RNA) where: Base-Base interactions energy: -1055.000 where: short stacking energy: -464.248 Base-Backbone interact. energy: -1.918 local terms energy: -451.227821 where: bonds (distance) C4'-P energy: -82.401 bonds (distance) P-C4' energy: -90.273 flat angles C4'-P-C4' energy: -97.079 flat angles P-C4'-P energy: -64.623 tors. eta vs tors. theta energy: -116.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -1332.003514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.003514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.003514 (E_RNA) where: Base-Base interactions energy: -891.663 where: short stacking energy: -418.387 Base-Backbone interact. energy: -0.985 local terms energy: -439.355793 where: bonds (distance) C4'-P energy: -77.645 bonds (distance) P-C4' energy: -82.099 flat angles C4'-P-C4' energy: -103.079 flat angles P-C4'-P energy: -59.743 tors. eta vs tors. theta energy: -116.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1253.551184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.551184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.551184 (E_RNA) where: Base-Base interactions energy: -829.133 where: short stacking energy: -362.471 Base-Backbone interact. energy: -1.205 local terms energy: -423.213199 where: bonds (distance) C4'-P energy: -84.997 bonds (distance) P-C4' energy: -79.793 flat angles C4'-P-C4' energy: -98.456 flat angles P-C4'-P energy: -61.131 tors. eta vs tors. theta energy: -98.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -860.974151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.974151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.974151 (E_RNA) where: Base-Base interactions energy: -510.194 where: short stacking energy: -255.928 Base-Backbone interact. energy: -2.515 local terms energy: -348.264853 where: bonds (distance) C4'-P energy: -86.291 bonds (distance) P-C4' energy: -78.733 flat angles C4'-P-C4' energy: -86.945 flat angles P-C4'-P energy: -48.512 tors. eta vs tors. theta energy: -47.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -867.149331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.149331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.149331 (E_RNA) where: Base-Base interactions energy: -545.753 where: short stacking energy: -241.512 Base-Backbone interact. energy: -2.226 local terms energy: -319.170335 where: bonds (distance) C4'-P energy: -81.755 bonds (distance) P-C4' energy: -69.476 flat angles C4'-P-C4' energy: -64.548 flat angles P-C4'-P energy: -51.715 tors. eta vs tors. theta energy: -51.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -533.003434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.003434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.003434 (E_RNA) where: Base-Base interactions energy: -256.123 where: short stacking energy: -165.497 Base-Backbone interact. energy: -0.639 local terms energy: -276.241349 where: bonds (distance) C4'-P energy: -72.465 bonds (distance) P-C4' energy: -74.625 flat angles C4'-P-C4' energy: -69.720 flat angles P-C4'-P energy: -50.011 tors. eta vs tors. theta energy: -9.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -486.370903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.370903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.370903 (E_RNA) where: Base-Base interactions energy: -225.320 where: short stacking energy: -138.393 Base-Backbone interact. energy: -1.262 local terms energy: -259.789341 where: bonds (distance) C4'-P energy: -69.435 bonds (distance) P-C4' energy: -87.525 flat angles C4'-P-C4' energy: -67.884 flat angles P-C4'-P energy: -40.404 tors. eta vs tors. theta energy: 5.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1722.459456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.459456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.459456 (E_RNA) where: Base-Base interactions energy: -1198.088 where: short stacking energy: -530.751 Base-Backbone interact. energy: -1.805 local terms energy: -522.565980 where: bonds (distance) C4'-P energy: -92.955 bonds (distance) P-C4' energy: -76.326 flat angles C4'-P-C4' energy: -110.549 flat angles P-C4'-P energy: -80.182 tors. eta vs tors. theta energy: -162.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1574.790137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.790137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.790137 (E_RNA) where: Base-Base interactions energy: -1075.281 where: short stacking energy: -482.635 Base-Backbone interact. energy: -3.787 local terms energy: -495.721724 where: bonds (distance) C4'-P energy: -83.806 bonds (distance) P-C4' energy: -90.909 flat angles C4'-P-C4' energy: -105.094 flat angles P-C4'-P energy: -71.573 tors. eta vs tors. theta energy: -144.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1570.358240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.358240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.358240 (E_RNA) where: Base-Base interactions energy: -1069.089 where: short stacking energy: -472.854 Base-Backbone interact. energy: -4.196 local terms energy: -497.073540 where: bonds (distance) C4'-P energy: -83.081 bonds (distance) P-C4' energy: -103.766 flat angles C4'-P-C4' energy: -104.164 flat angles P-C4'-P energy: -68.835 tors. eta vs tors. theta energy: -137.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1490.780832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.780832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.780832 (E_RNA) where: Base-Base interactions energy: -1022.525 where: short stacking energy: -433.037 Base-Backbone interact. energy: -1.465 local terms energy: -466.790975 where: bonds (distance) C4'-P energy: -79.751 bonds (distance) P-C4' energy: -89.206 flat angles C4'-P-C4' energy: -100.662 flat angles P-C4'-P energy: -74.224 tors. eta vs tors. theta energy: -122.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1327.972844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.972844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.972844 (E_RNA) where: Base-Base interactions energy: -884.889 where: short stacking energy: -403.885 Base-Backbone interact. energy: -1.994 local terms energy: -441.089203 where: bonds (distance) C4'-P energy: -73.084 bonds (distance) P-C4' energy: -87.812 flat angles C4'-P-C4' energy: -93.748 flat angles P-C4'-P energy: -72.734 tors. eta vs tors. theta energy: -113.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1241.214602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.214602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.214602 (E_RNA) where: Base-Base interactions energy: -826.165 where: short stacking energy: -376.623 Base-Backbone interact. energy: -1.560 local terms energy: -413.490128 where: bonds (distance) C4'-P energy: -73.335 bonds (distance) P-C4' energy: -99.145 flat angles C4'-P-C4' energy: -83.380 flat angles P-C4'-P energy: -68.703 tors. eta vs tors. theta energy: -88.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -941.775174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.775174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.775174 (E_RNA) where: Base-Base interactions energy: -586.425 where: short stacking energy: -281.717 Base-Backbone interact. energy: 4.859 local terms energy: -360.209499 where: bonds (distance) C4'-P energy: -83.409 bonds (distance) P-C4' energy: -91.068 flat angles C4'-P-C4' energy: -87.520 flat angles P-C4'-P energy: -54.611 tors. eta vs tors. theta energy: -43.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -798.603376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.603376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.603376 (E_RNA) where: Base-Base interactions energy: -472.173 where: short stacking energy: -233.894 Base-Backbone interact. energy: -1.864 local terms energy: -324.565917 where: bonds (distance) C4'-P energy: -76.402 bonds (distance) P-C4' energy: -87.837 flat angles C4'-P-C4' energy: -75.496 flat angles P-C4'-P energy: -40.833 tors. eta vs tors. theta energy: -43.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -578.934585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.934585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.934585 (E_RNA) where: Base-Base interactions energy: -293.184 where: short stacking energy: -158.958 Base-Backbone interact. energy: -1.986 local terms energy: -283.764719 where: bonds (distance) C4'-P energy: -78.278 bonds (distance) P-C4' energy: -71.766 flat angles C4'-P-C4' energy: -86.915 flat angles P-C4'-P energy: -35.899 tors. eta vs tors. theta energy: -10.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -454.796511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.796511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.796511 (E_RNA) where: Base-Base interactions energy: -220.230 where: short stacking energy: -133.749 Base-Backbone interact. energy: -2.130 local terms energy: -232.436591 where: bonds (distance) C4'-P energy: -66.905 bonds (distance) P-C4' energy: -58.262 flat angles C4'-P-C4' energy: -68.596 flat angles P-C4'-P energy: -38.246 tors. eta vs tors. theta energy: -0.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1715.087429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.087429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.087429 (E_RNA) where: Base-Base interactions energy: -1188.398 where: short stacking energy: -506.134 Base-Backbone interact. energy: -2.183 local terms energy: -524.506185 where: bonds (distance) C4'-P energy: -90.356 bonds (distance) P-C4' energy: -87.426 flat angles C4'-P-C4' energy: -112.118 flat angles P-C4'-P energy: -77.333 tors. eta vs tors. theta energy: -157.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1570.910049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.910049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.910049 (E_RNA) where: Base-Base interactions energy: -1067.674 where: short stacking energy: -434.720 Base-Backbone interact. energy: -2.990 local terms energy: -500.245805 where: bonds (distance) C4'-P energy: -97.216 bonds (distance) P-C4' energy: -90.397 flat angles C4'-P-C4' energy: -103.196 flat angles P-C4'-P energy: -67.193 tors. eta vs tors. theta energy: -142.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1541.808611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.808611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.808611 (E_RNA) where: Base-Base interactions energy: -1049.684 where: short stacking energy: -470.413 Base-Backbone interact. energy: -2.245 local terms energy: -489.878832 where: bonds (distance) C4'-P energy: -84.510 bonds (distance) P-C4' energy: -94.990 flat angles C4'-P-C4' energy: -107.958 flat angles P-C4'-P energy: -70.416 tors. eta vs tors. theta energy: -132.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1484.607135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.607135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.607135 (E_RNA) where: Base-Base interactions energy: -1012.992 where: short stacking energy: -435.487 Base-Backbone interact. energy: -1.322 local terms energy: -470.292647 where: bonds (distance) C4'-P energy: -96.045 bonds (distance) P-C4' energy: -87.786 flat angles C4'-P-C4' energy: -95.330 flat angles P-C4'-P energy: -66.793 tors. eta vs tors. theta energy: -124.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1367.378977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.378977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.378977 (E_RNA) where: Base-Base interactions energy: -914.046 where: short stacking energy: -417.631 Base-Backbone interact. energy: -2.399 local terms energy: -450.933747 where: bonds (distance) C4'-P energy: -87.701 bonds (distance) P-C4' energy: -83.891 flat angles C4'-P-C4' energy: -92.700 flat angles P-C4'-P energy: -55.451 tors. eta vs tors. theta energy: -131.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1243.302710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.302710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.302710 (E_RNA) where: Base-Base interactions energy: -819.559 where: short stacking energy: -375.012 Base-Backbone interact. energy: -1.671 local terms energy: -422.072528 where: bonds (distance) C4'-P energy: -85.038 bonds (distance) P-C4' energy: -104.318 flat angles C4'-P-C4' energy: -81.321 flat angles P-C4'-P energy: -54.485 tors. eta vs tors. theta energy: -96.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -927.232688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.232688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.232688 (E_RNA) where: Base-Base interactions energy: -575.800 where: short stacking energy: -269.522 Base-Backbone interact. energy: -0.256 local terms energy: -351.176109 where: bonds (distance) C4'-P energy: -86.178 bonds (distance) P-C4' energy: -76.600 flat angles C4'-P-C4' energy: -66.341 flat angles P-C4'-P energy: -59.515 tors. eta vs tors. theta energy: -62.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -844.172454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.172454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.172454 (E_RNA) where: Base-Base interactions energy: -536.382 where: short stacking energy: -254.005 Base-Backbone interact. energy: -1.662 local terms energy: -306.128692 where: bonds (distance) C4'-P energy: -73.110 bonds (distance) P-C4' energy: -71.107 flat angles C4'-P-C4' energy: -74.263 flat angles P-C4'-P energy: -40.722 tors. eta vs tors. theta energy: -46.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -579.817722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.817722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.817722 (E_RNA) where: Base-Base interactions energy: -308.357 where: short stacking energy: -189.705 Base-Backbone interact. energy: -1.860 local terms energy: -269.600718 where: bonds (distance) C4'-P energy: -62.791 bonds (distance) P-C4' energy: -77.840 flat angles C4'-P-C4' energy: -71.288 flat angles P-C4'-P energy: -38.267 tors. eta vs tors. theta energy: -19.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -436.864850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.864850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.864850 (E_RNA) where: Base-Base interactions energy: -208.216 where: short stacking energy: -128.574 Base-Backbone interact. energy: -1.089 local terms energy: -227.560478 where: bonds (distance) C4'-P energy: -64.295 bonds (distance) P-C4' energy: -77.834 flat angles C4'-P-C4' energy: -47.722 flat angles P-C4'-P energy: -36.580 tors. eta vs tors. theta energy: -1.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1706.725862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.725862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.725862 (E_RNA) where: Base-Base interactions energy: -1176.078 where: short stacking energy: -525.998 Base-Backbone interact. energy: -0.912 local terms energy: -529.735388 where: bonds (distance) C4'-P energy: -101.571 bonds (distance) P-C4' energy: -80.217 flat angles C4'-P-C4' energy: -110.652 flat angles P-C4'-P energy: -73.761 tors. eta vs tors. theta energy: -163.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1588.403637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.403637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.403637 (E_RNA) where: Base-Base interactions energy: -1082.857 where: short stacking energy: -457.848 Base-Backbone interact. energy: -6.318 local terms energy: -499.228860 where: bonds (distance) C4'-P energy: -99.261 bonds (distance) P-C4' energy: -82.249 flat angles C4'-P-C4' energy: -104.792 flat angles P-C4'-P energy: -79.924 tors. eta vs tors. theta energy: -133.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1533.753045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.753045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.753045 (E_RNA) where: Base-Base interactions energy: -1061.351 where: short stacking energy: -456.497 Base-Backbone interact. energy: 3.594 local terms energy: -475.995803 where: bonds (distance) C4'-P energy: -85.677 bonds (distance) P-C4' energy: -94.871 flat angles C4'-P-C4' energy: -101.211 flat angles P-C4'-P energy: -70.565 tors. eta vs tors. theta energy: -123.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1511.694715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.694715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.694715 (E_RNA) where: Base-Base interactions energy: -1059.481 where: short stacking energy: -455.214 Base-Backbone interact. energy: -0.683 local terms energy: -451.530408 where: bonds (distance) C4'-P energy: -88.193 bonds (distance) P-C4' energy: -81.748 flat angles C4'-P-C4' energy: -97.096 flat angles P-C4'-P energy: -60.484 tors. eta vs tors. theta energy: -124.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1401.921936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.921936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.921936 (E_RNA) where: Base-Base interactions energy: -941.902 where: short stacking energy: -440.773 Base-Backbone interact. energy: -2.193 local terms energy: -457.827106 where: bonds (distance) C4'-P energy: -84.085 bonds (distance) P-C4' energy: -96.616 flat angles C4'-P-C4' energy: -95.937 flat angles P-C4'-P energy: -52.550 tors. eta vs tors. theta energy: -128.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1240.899498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.899498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.899498 (E_RNA) where: Base-Base interactions energy: -827.411 where: short stacking energy: -351.816 Base-Backbone interact. energy: -0.880 local terms energy: -412.608658 where: bonds (distance) C4'-P energy: -80.799 bonds (distance) P-C4' energy: -78.563 flat angles C4'-P-C4' energy: -96.360 flat angles P-C4'-P energy: -59.527 tors. eta vs tors. theta energy: -97.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -931.602562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.602562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.602562 (E_RNA) where: Base-Base interactions energy: -575.891 where: short stacking energy: -280.691 Base-Backbone interact. energy: -1.207 local terms energy: -354.505388 where: bonds (distance) C4'-P energy: -82.227 bonds (distance) P-C4' energy: -85.678 flat angles C4'-P-C4' energy: -81.456 flat angles P-C4'-P energy: -42.195 tors. eta vs tors. theta energy: -62.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -765.248886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.248886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.248886 (E_RNA) where: Base-Base interactions energy: -443.141 where: short stacking energy: -208.876 Base-Backbone interact. energy: 0.514 local terms energy: -322.621486 where: bonds (distance) C4'-P energy: -70.043 bonds (distance) P-C4' energy: -80.499 flat angles C4'-P-C4' energy: -78.240 flat angles P-C4'-P energy: -58.399 tors. eta vs tors. theta energy: -35.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -541.665624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.665624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.665624 (E_RNA) where: Base-Base interactions energy: -273.710 where: short stacking energy: -172.552 Base-Backbone interact. energy: -1.204 local terms energy: -266.751323 where: bonds (distance) C4'-P energy: -78.346 bonds (distance) P-C4' energy: -69.568 flat angles C4'-P-C4' energy: -70.153 flat angles P-C4'-P energy: -38.272 tors. eta vs tors. theta energy: -10.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -467.409500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.409500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.409500 (E_RNA) where: Base-Base interactions energy: -209.740 where: short stacking energy: -125.376 Base-Backbone interact. energy: 2.971 local terms energy: -260.640885 where: bonds (distance) C4'-P energy: -48.976 bonds (distance) P-C4' energy: -78.204 flat angles C4'-P-C4' energy: -78.753 flat angles P-C4'-P energy: -42.711 tors. eta vs tors. theta energy: -11.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1699.903274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.903274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.903274 (E_RNA) where: Base-Base interactions energy: -1169.471 where: short stacking energy: -515.737 Base-Backbone interact. energy: -2.033 local terms energy: -528.399306 where: bonds (distance) C4'-P energy: -86.970 bonds (distance) P-C4' energy: -101.664 flat angles C4'-P-C4' energy: -110.219 flat angles P-C4'-P energy: -71.051 tors. eta vs tors. theta energy: -158.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1570.311904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.311904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.311904 (E_RNA) where: Base-Base interactions energy: -1062.418 where: short stacking energy: -459.354 Base-Backbone interact. energy: -5.937 local terms energy: -501.956599 where: bonds (distance) C4'-P energy: -80.470 bonds (distance) P-C4' energy: -99.973 flat angles C4'-P-C4' energy: -113.368 flat angles P-C4'-P energy: -73.272 tors. eta vs tors. theta energy: -134.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1539.106879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.106879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.106879 (E_RNA) where: Base-Base interactions energy: -1063.511 where: short stacking energy: -459.476 Base-Backbone interact. energy: -1.561 local terms energy: -474.034939 where: bonds (distance) C4'-P energy: -87.241 bonds (distance) P-C4' energy: -91.165 flat angles C4'-P-C4' energy: -93.269 flat angles P-C4'-P energy: -72.001 tors. eta vs tors. theta energy: -130.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1529.722876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.722876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.722876 (E_RNA) where: Base-Base interactions energy: -1063.178 where: short stacking energy: -443.997 Base-Backbone interact. energy: -2.795 local terms energy: -463.749881 where: bonds (distance) C4'-P energy: -74.322 bonds (distance) P-C4' energy: -87.202 flat angles C4'-P-C4' energy: -109.796 flat angles P-C4'-P energy: -69.311 tors. eta vs tors. theta energy: -123.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1400.078912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.078912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.078912 (E_RNA) where: Base-Base interactions energy: -958.112 where: short stacking energy: -432.371 Base-Backbone interact. energy: -0.195 local terms energy: -441.772230 where: bonds (distance) C4'-P energy: -76.178 bonds (distance) P-C4' energy: -80.027 flat angles C4'-P-C4' energy: -97.861 flat angles P-C4'-P energy: -67.771 tors. eta vs tors. theta energy: -119.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1274.647690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.647690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.647690 (E_RNA) where: Base-Base interactions energy: -855.317 where: short stacking energy: -370.135 Base-Backbone interact. energy: -2.228 local terms energy: -417.102518 where: bonds (distance) C4'-P energy: -74.723 bonds (distance) P-C4' energy: -89.837 flat angles C4'-P-C4' energy: -90.798 flat angles P-C4'-P energy: -68.706 tors. eta vs tors. theta energy: -93.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -898.931926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.931926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.931926 (E_RNA) where: Base-Base interactions energy: -552.232 where: short stacking energy: -286.913 Base-Backbone interact. energy: -4.642 local terms energy: -342.057568 where: bonds (distance) C4'-P energy: -65.732 bonds (distance) P-C4' energy: -82.548 flat angles C4'-P-C4' energy: -82.559 flat angles P-C4'-P energy: -58.349 tors. eta vs tors. theta energy: -52.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -795.464822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.464822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.464822 (E_RNA) where: Base-Base interactions energy: -421.012 where: short stacking energy: -188.512 Base-Backbone interact. energy: 0.125 local terms energy: -374.577917 where: bonds (distance) C4'-P energy: -91.684 bonds (distance) P-C4' energy: -93.429 flat angles C4'-P-C4' energy: -87.669 flat angles P-C4'-P energy: -69.986 tors. eta vs tors. theta energy: -31.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -524.607861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.607861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.607861 (E_RNA) where: Base-Base interactions energy: -271.702 where: short stacking energy: -160.375 Base-Backbone interact. energy: -0.370 local terms energy: -252.535803 where: bonds (distance) C4'-P energy: -71.571 bonds (distance) P-C4' energy: -73.787 flat angles C4'-P-C4' energy: -69.909 flat angles P-C4'-P energy: -39.691 tors. eta vs tors. theta energy: 2.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -489.373257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.373257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.373257 (E_RNA) where: Base-Base interactions energy: -229.330 where: short stacking energy: -153.096 Base-Backbone interact. energy: 0.240 local terms energy: -260.283032 where: bonds (distance) C4'-P energy: -74.836 bonds (distance) P-C4' energy: -63.240 flat angles C4'-P-C4' energy: -66.477 flat angles P-C4'-P energy: -49.361 tors. eta vs tors. theta energy: -6.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1708.764730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.764730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.764730 (E_RNA) where: Base-Base interactions energy: -1181.761 where: short stacking energy: -521.361 Base-Backbone interact. energy: -2.291 local terms energy: -524.712906 where: bonds (distance) C4'-P energy: -100.969 bonds (distance) P-C4' energy: -89.208 flat angles C4'-P-C4' energy: -106.700 flat angles P-C4'-P energy: -69.817 tors. eta vs tors. theta energy: -158.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1551.396317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.396317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.396317 (E_RNA) where: Base-Base interactions energy: -1067.842 where: short stacking energy: -459.033 Base-Backbone interact. energy: -1.358 local terms energy: -482.196098 where: bonds (distance) C4'-P energy: -92.834 bonds (distance) P-C4' energy: -92.397 flat angles C4'-P-C4' energy: -101.220 flat angles P-C4'-P energy: -65.775 tors. eta vs tors. theta energy: -129.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1549.315359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.315359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.315359 (E_RNA) where: Base-Base interactions energy: -1055.731 where: short stacking energy: -459.586 Base-Backbone interact. energy: -2.068 local terms energy: -491.516970 where: bonds (distance) C4'-P energy: -87.652 bonds (distance) P-C4' energy: -101.407 flat angles C4'-P-C4' energy: -98.042 flat angles P-C4'-P energy: -69.319 tors. eta vs tors. theta energy: -135.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1487.751545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.751545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.751545 (E_RNA) where: Base-Base interactions energy: -1039.956 where: short stacking energy: -451.249 Base-Backbone interact. energy: -2.000 local terms energy: -445.796091 where: bonds (distance) C4'-P energy: -87.078 bonds (distance) P-C4' energy: -93.041 flat angles C4'-P-C4' energy: -77.637 flat angles P-C4'-P energy: -71.216 tors. eta vs tors. theta energy: -116.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1384.779367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.779367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.779367 (E_RNA) where: Base-Base interactions energy: -948.283 where: short stacking energy: -450.884 Base-Backbone interact. energy: -1.422 local terms energy: -435.074774 where: bonds (distance) C4'-P energy: -79.974 bonds (distance) P-C4' energy: -75.456 flat angles C4'-P-C4' energy: -98.259 flat angles P-C4'-P energy: -63.229 tors. eta vs tors. theta energy: -118.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1320.806294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.806294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.806294 (E_RNA) where: Base-Base interactions energy: -893.130 where: short stacking energy: -396.677 Base-Backbone interact. energy: -1.737 local terms energy: -425.939639 where: bonds (distance) C4'-P energy: -74.947 bonds (distance) P-C4' energy: -91.974 flat angles C4'-P-C4' energy: -98.070 flat angles P-C4'-P energy: -52.071 tors. eta vs tors. theta energy: -108.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -901.685945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.685945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.685945 (E_RNA) where: Base-Base interactions energy: -534.780 where: short stacking energy: -274.706 Base-Backbone interact. energy: -1.821 local terms energy: -365.084789 where: bonds (distance) C4'-P energy: -83.285 bonds (distance) P-C4' energy: -93.002 flat angles C4'-P-C4' energy: -82.370 flat angles P-C4'-P energy: -50.812 tors. eta vs tors. theta energy: -55.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -761.575535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.575535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.575535 (E_RNA) where: Base-Base interactions energy: -498.330 where: short stacking energy: -254.561 Base-Backbone interact. energy: -2.737 local terms energy: -260.508169 where: bonds (distance) C4'-P energy: -64.619 bonds (distance) P-C4' energy: -58.778 flat angles C4'-P-C4' energy: -55.784 flat angles P-C4'-P energy: -43.705 tors. eta vs tors. theta energy: -37.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -564.093119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.093119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.093119 (E_RNA) where: Base-Base interactions energy: -260.031 where: short stacking energy: -149.158 Base-Backbone interact. energy: -2.648 local terms energy: -301.413792 where: bonds (distance) C4'-P energy: -87.830 bonds (distance) P-C4' energy: -96.800 flat angles C4'-P-C4' energy: -69.022 flat angles P-C4'-P energy: -45.475 tors. eta vs tors. theta energy: -2.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -474.048074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.048074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.048074 (E_RNA) where: Base-Base interactions energy: -221.563 where: short stacking energy: -143.182 Base-Backbone interact. energy: -0.862 local terms energy: -251.622583 where: bonds (distance) C4'-P energy: -74.619 bonds (distance) P-C4' energy: -86.210 flat angles C4'-P-C4' energy: -59.819 flat angles P-C4'-P energy: -30.067 tors. eta vs tors. theta energy: -0.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1716.144089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.144089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.144089 (E_RNA) where: Base-Base interactions energy: -1185.941 where: short stacking energy: -518.750 Base-Backbone interact. energy: -2.665 local terms energy: -527.538290 where: bonds (distance) C4'-P energy: -85.422 bonds (distance) P-C4' energy: -93.043 flat angles C4'-P-C4' energy: -113.978 flat angles P-C4'-P energy: -75.004 tors. eta vs tors. theta energy: -160.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1582.885409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.885409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.885409 (E_RNA) where: Base-Base interactions energy: -1076.901 where: short stacking energy: -459.155 Base-Backbone interact. energy: -2.334 local terms energy: -503.650769 where: bonds (distance) C4'-P energy: -88.023 bonds (distance) P-C4' energy: -103.711 flat angles C4'-P-C4' energy: -106.037 flat angles P-C4'-P energy: -67.527 tors. eta vs tors. theta energy: -138.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1523.615266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.615266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.615266 (E_RNA) where: Base-Base interactions energy: -1039.208 where: short stacking energy: -463.362 Base-Backbone interact. energy: -0.684 local terms energy: -483.723113 where: bonds (distance) C4'-P energy: -94.197 bonds (distance) P-C4' energy: -75.587 flat angles C4'-P-C4' energy: -108.343 flat angles P-C4'-P energy: -73.819 tors. eta vs tors. theta energy: -131.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1486.228954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.228954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.228954 (E_RNA) where: Base-Base interactions energy: -1028.298 where: short stacking energy: -437.841 Base-Backbone interact. energy: -1.530 local terms energy: -456.401501 where: bonds (distance) C4'-P energy: -77.980 bonds (distance) P-C4' energy: -90.301 flat angles C4'-P-C4' energy: -97.277 flat angles P-C4'-P energy: -64.438 tors. eta vs tors. theta energy: -126.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1356.714407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.714407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.714407 (E_RNA) where: Base-Base interactions energy: -905.866 where: short stacking energy: -396.590 Base-Backbone interact. energy: -2.189 local terms energy: -448.658949 where: bonds (distance) C4'-P energy: -99.460 bonds (distance) P-C4' energy: -83.770 flat angles C4'-P-C4' energy: -93.793 flat angles P-C4'-P energy: -58.985 tors. eta vs tors. theta energy: -112.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1324.504590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.504590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.504590 (E_RNA) where: Base-Base interactions energy: -906.883 where: short stacking energy: -419.504 Base-Backbone interact. energy: -1.752 local terms energy: -415.869323 where: bonds (distance) C4'-P energy: -80.395 bonds (distance) P-C4' energy: -76.172 flat angles C4'-P-C4' energy: -90.625 flat angles P-C4'-P energy: -55.169 tors. eta vs tors. theta energy: -113.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -962.529240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.529240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.529240 (E_RNA) where: Base-Base interactions energy: -589.483 where: short stacking energy: -300.887 Base-Backbone interact. energy: -1.878 local terms energy: -371.167671 where: bonds (distance) C4'-P energy: -88.079 bonds (distance) P-C4' energy: -77.459 flat angles C4'-P-C4' energy: -88.654 flat angles P-C4'-P energy: -55.128 tors. eta vs tors. theta energy: -61.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -741.138873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.138873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.138873 (E_RNA) where: Base-Base interactions energy: -405.015 where: short stacking energy: -214.194 Base-Backbone interact. energy: -3.818 local terms energy: -332.305743 where: bonds (distance) C4'-P energy: -71.127 bonds (distance) P-C4' energy: -88.193 flat angles C4'-P-C4' energy: -80.844 flat angles P-C4'-P energy: -43.123 tors. eta vs tors. theta energy: -49.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -530.543369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.543369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.543369 (E_RNA) where: Base-Base interactions energy: -264.294 where: short stacking energy: -164.548 Base-Backbone interact. energy: 0.411 local terms energy: -266.660038 where: bonds (distance) C4'-P energy: -76.735 bonds (distance) P-C4' energy: -74.028 flat angles C4'-P-C4' energy: -76.119 flat angles P-C4'-P energy: -38.050 tors. eta vs tors. theta energy: -1.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -462.210100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.210100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.210100 (E_RNA) where: Base-Base interactions energy: -181.875 where: short stacking energy: -108.272 Base-Backbone interact. energy: 2.261 local terms energy: -282.596107 where: bonds (distance) C4'-P energy: -72.373 bonds (distance) P-C4' energy: -84.724 flat angles C4'-P-C4' energy: -71.619 flat angles P-C4'-P energy: -51.640 tors. eta vs tors. theta energy: -2.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1724.222409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.222409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.222409 (E_RNA) where: Base-Base interactions energy: -1177.997 where: short stacking energy: -512.989 Base-Backbone interact. energy: 1.355 local terms energy: -547.580649 where: bonds (distance) C4'-P energy: -94.757 bonds (distance) P-C4' energy: -97.608 flat angles C4'-P-C4' energy: -114.310 flat angles P-C4'-P energy: -78.574 tors. eta vs tors. theta energy: -162.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1595.746159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.746159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.746159 (E_RNA) where: Base-Base interactions energy: -1106.768 where: short stacking energy: -469.769 Base-Backbone interact. energy: -0.184 local terms energy: -488.794263 where: bonds (distance) C4'-P energy: -89.389 bonds (distance) P-C4' energy: -89.951 flat angles C4'-P-C4' energy: -108.385 flat angles P-C4'-P energy: -68.293 tors. eta vs tors. theta energy: -132.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1513.374155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.374155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.374155 (E_RNA) where: Base-Base interactions energy: -1052.257 where: short stacking energy: -437.074 Base-Backbone interact. energy: -1.545 local terms energy: -459.571665 where: bonds (distance) C4'-P energy: -91.393 bonds (distance) P-C4' energy: -79.072 flat angles C4'-P-C4' energy: -93.668 flat angles P-C4'-P energy: -63.313 tors. eta vs tors. theta energy: -132.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1505.089324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.089324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.089324 (E_RNA) where: Base-Base interactions energy: -1049.088 where: short stacking energy: -441.022 Base-Backbone interact. energy: -0.015 local terms energy: -455.986197 where: bonds (distance) C4'-P energy: -79.295 bonds (distance) P-C4' energy: -89.030 flat angles C4'-P-C4' energy: -97.922 flat angles P-C4'-P energy: -66.665 tors. eta vs tors. theta energy: -123.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -1403.049851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.049851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.049851 (E_RNA) where: Base-Base interactions energy: -957.695 where: short stacking energy: -424.988 Base-Backbone interact. energy: 0.068 local terms energy: -445.423279 where: bonds (distance) C4'-P energy: -78.516 bonds (distance) P-C4' energy: -86.996 flat angles C4'-P-C4' energy: -93.099 flat angles P-C4'-P energy: -67.751 tors. eta vs tors. theta energy: -119.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1321.774170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.774170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.774170 (E_RNA) where: Base-Base interactions energy: -874.586 where: short stacking energy: -386.344 Base-Backbone interact. energy: 7.577 local terms energy: -454.765021 where: bonds (distance) C4'-P energy: -94.453 bonds (distance) P-C4' energy: -95.019 flat angles C4'-P-C4' energy: -93.029 flat angles P-C4'-P energy: -60.958 tors. eta vs tors. theta energy: -111.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -925.332271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.332271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.332271 (E_RNA) where: Base-Base interactions energy: -550.979 where: short stacking energy: -259.206 Base-Backbone interact. energy: -0.902 local terms energy: -373.450987 where: bonds (distance) C4'-P energy: -73.576 bonds (distance) P-C4' energy: -95.076 flat angles C4'-P-C4' energy: -92.725 flat angles P-C4'-P energy: -54.449 tors. eta vs tors. theta energy: -57.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -756.278073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.278073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.278073 (E_RNA) where: Base-Base interactions energy: -452.611 where: short stacking energy: -228.563 Base-Backbone interact. energy: -0.961 local terms energy: -302.705633 where: bonds (distance) C4'-P energy: -64.795 bonds (distance) P-C4' energy: -68.821 flat angles C4'-P-C4' energy: -69.824 flat angles P-C4'-P energy: -53.195 tors. eta vs tors. theta energy: -46.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -552.931003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.931003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.931003 (E_RNA) where: Base-Base interactions energy: -285.220 where: short stacking energy: -163.582 Base-Backbone interact. energy: 0.873 local terms energy: -268.583779 where: bonds (distance) C4'-P energy: -71.618 bonds (distance) P-C4' energy: -79.518 flat angles C4'-P-C4' energy: -69.811 flat angles P-C4'-P energy: -42.787 tors. eta vs tors. theta energy: -4.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -465.581485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.581485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.581485 (E_RNA) where: Base-Base interactions energy: -207.200 where: short stacking energy: -122.059 Base-Backbone interact. energy: -1.974 local terms energy: -256.407571 where: bonds (distance) C4'-P energy: -76.411 bonds (distance) P-C4' energy: -78.912 flat angles C4'-P-C4' energy: -67.655 flat angles P-C4'-P energy: -36.703 tors. eta vs tors. theta energy: 3.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1713.169663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.169663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.169663 (E_RNA) where: Base-Base interactions energy: -1181.296 where: short stacking energy: -511.334 Base-Backbone interact. energy: 0.961 local terms energy: -532.834709 where: bonds (distance) C4'-P energy: -100.172 bonds (distance) P-C4' energy: -88.782 flat angles C4'-P-C4' energy: -108.955 flat angles P-C4'-P energy: -74.239 tors. eta vs tors. theta energy: -160.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1547.478810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.478810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.478810 (E_RNA) where: Base-Base interactions energy: -1061.415 where: short stacking energy: -456.005 Base-Backbone interact. energy: -3.320 local terms energy: -482.744402 where: bonds (distance) C4'-P energy: -82.662 bonds (distance) P-C4' energy: -92.546 flat angles C4'-P-C4' energy: -99.271 flat angles P-C4'-P energy: -71.237 tors. eta vs tors. theta energy: -137.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1544.148429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.148429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.148429 (E_RNA) where: Base-Base interactions energy: -1054.307 where: short stacking energy: -457.221 Base-Backbone interact. energy: -2.846 local terms energy: -486.995168 where: bonds (distance) C4'-P energy: -89.255 bonds (distance) P-C4' energy: -102.024 flat angles C4'-P-C4' energy: -106.803 flat angles P-C4'-P energy: -67.253 tors. eta vs tors. theta energy: -121.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1486.819793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.819793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.819793 (E_RNA) where: Base-Base interactions energy: -1038.167 where: short stacking energy: -444.759 Base-Backbone interact. energy: 0.274 local terms energy: -448.927597 where: bonds (distance) C4'-P energy: -75.870 bonds (distance) P-C4' energy: -95.087 flat angles C4'-P-C4' energy: -97.573 flat angles P-C4'-P energy: -59.531 tors. eta vs tors. theta energy: -120.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1407.209814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.209814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.209814 (E_RNA) where: Base-Base interactions energy: -955.184 where: short stacking energy: -422.080 Base-Backbone interact. energy: -0.997 local terms energy: -451.028676 where: bonds (distance) C4'-P energy: -75.255 bonds (distance) P-C4' energy: -91.481 flat angles C4'-P-C4' energy: -90.851 flat angles P-C4'-P energy: -74.892 tors. eta vs tors. theta energy: -118.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1339.539700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.539700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.539700 (E_RNA) where: Base-Base interactions energy: -916.229 where: short stacking energy: -405.380 Base-Backbone interact. energy: 3.078 local terms energy: -426.388421 where: bonds (distance) C4'-P energy: -72.799 bonds (distance) P-C4' energy: -89.590 flat angles C4'-P-C4' energy: -90.407 flat angles P-C4'-P energy: -61.851 tors. eta vs tors. theta energy: -111.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -955.989524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.989524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.989524 (E_RNA) where: Base-Base interactions energy: -589.240 where: short stacking energy: -291.794 Base-Backbone interact. energy: -1.836 local terms energy: -364.913734 where: bonds (distance) C4'-P energy: -79.248 bonds (distance) P-C4' energy: -87.638 flat angles C4'-P-C4' energy: -87.698 flat angles P-C4'-P energy: -57.455 tors. eta vs tors. theta energy: -52.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -847.311146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.311146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.311146 (E_RNA) where: Base-Base interactions energy: -526.299 where: short stacking energy: -245.633 Base-Backbone interact. energy: -0.345 local terms energy: -320.667664 where: bonds (distance) C4'-P energy: -84.807 bonds (distance) P-C4' energy: -75.235 flat angles C4'-P-C4' energy: -84.662 flat angles P-C4'-P energy: -36.561 tors. eta vs tors. theta energy: -39.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -551.742066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.742066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.742066 (E_RNA) where: Base-Base interactions energy: -285.307 where: short stacking energy: -155.459 Base-Backbone interact. energy: 0.364 local terms energy: -266.798860 where: bonds (distance) C4'-P energy: -82.559 bonds (distance) P-C4' energy: -81.589 flat angles C4'-P-C4' energy: -71.611 flat angles P-C4'-P energy: -24.440 tors. eta vs tors. theta energy: -6.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -479.649167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.649167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.649167 (E_RNA) where: Base-Base interactions energy: -219.769 where: short stacking energy: -140.529 Base-Backbone interact. energy: -2.543 local terms energy: -257.337078 where: bonds (distance) C4'-P energy: -74.730 bonds (distance) P-C4' energy: -76.080 flat angles C4'-P-C4' energy: -61.229 flat angles P-C4'-P energy: -54.793 tors. eta vs tors. theta energy: 9.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1714.745752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.745752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.745752 (E_RNA) where: Base-Base interactions energy: -1173.738 where: short stacking energy: -522.027 Base-Backbone interact. energy: -3.131 local terms energy: -537.876858 where: bonds (distance) C4'-P energy: -97.381 bonds (distance) P-C4' energy: -94.501 flat angles C4'-P-C4' energy: -112.407 flat angles P-C4'-P energy: -76.461 tors. eta vs tors. theta energy: -157.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1549.538825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.538825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.538825 (E_RNA) where: Base-Base interactions energy: -1055.457 where: short stacking energy: -441.941 Base-Backbone interact. energy: -3.269 local terms energy: -490.813363 where: bonds (distance) C4'-P energy: -88.022 bonds (distance) P-C4' energy: -87.717 flat angles C4'-P-C4' energy: -104.830 flat angles P-C4'-P energy: -71.388 tors. eta vs tors. theta energy: -138.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1527.852865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.852865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.852865 (E_RNA) where: Base-Base interactions energy: -1033.582 where: short stacking energy: -431.051 Base-Backbone interact. energy: -2.487 local terms energy: -491.784167 where: bonds (distance) C4'-P energy: -96.937 bonds (distance) P-C4' energy: -97.551 flat angles C4'-P-C4' energy: -97.305 flat angles P-C4'-P energy: -68.462 tors. eta vs tors. theta energy: -131.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1463.900482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.900482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.900482 (E_RNA) where: Base-Base interactions energy: -1005.674 where: short stacking energy: -438.856 Base-Backbone interact. energy: -2.367 local terms energy: -455.859694 where: bonds (distance) C4'-P energy: -80.694 bonds (distance) P-C4' energy: -85.519 flat angles C4'-P-C4' energy: -107.068 flat angles P-C4'-P energy: -59.646 tors. eta vs tors. theta energy: -122.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1363.809597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.809597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.809597 (E_RNA) where: Base-Base interactions energy: -929.325 where: short stacking energy: -396.007 Base-Backbone interact. energy: -2.080 local terms energy: -432.404419 where: bonds (distance) C4'-P energy: -71.676 bonds (distance) P-C4' energy: -95.314 flat angles C4'-P-C4' energy: -86.890 flat angles P-C4'-P energy: -64.549 tors. eta vs tors. theta energy: -113.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1272.990040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.990040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.990040 (E_RNA) where: Base-Base interactions energy: -845.199 where: short stacking energy: -375.632 Base-Backbone interact. energy: 1.126 local terms energy: -428.917164 where: bonds (distance) C4'-P energy: -68.557 bonds (distance) P-C4' energy: -92.990 flat angles C4'-P-C4' energy: -93.290 flat angles P-C4'-P energy: -65.737 tors. eta vs tors. theta energy: -108.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -955.073005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.073005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.073005 (E_RNA) where: Base-Base interactions energy: -640.257 where: short stacking energy: -282.746 Base-Backbone interact. energy: -0.478 local terms energy: -314.337857 where: bonds (distance) C4'-P energy: -51.716 bonds (distance) P-C4' energy: -90.221 flat angles C4'-P-C4' energy: -71.909 flat angles P-C4'-P energy: -50.499 tors. eta vs tors. theta energy: -49.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -822.573743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.573743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.573743 (E_RNA) where: Base-Base interactions energy: -506.907 where: short stacking energy: -239.476 Base-Backbone interact. energy: 1.717 local terms energy: -317.383551 where: bonds (distance) C4'-P energy: -80.006 bonds (distance) P-C4' energy: -78.276 flat angles C4'-P-C4' energy: -75.167 flat angles P-C4'-P energy: -51.690 tors. eta vs tors. theta energy: -32.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -580.488486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.488486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.488486 (E_RNA) where: Base-Base interactions energy: -317.485 where: short stacking energy: -186.545 Base-Backbone interact. energy: 0.900 local terms energy: -263.903262 where: bonds (distance) C4'-P energy: -66.795 bonds (distance) P-C4' energy: -84.280 flat angles C4'-P-C4' energy: -59.658 flat angles P-C4'-P energy: -31.315 tors. eta vs tors. theta energy: -21.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -393.535246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.535246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.535246 (E_RNA) where: Base-Base interactions energy: -167.472 where: short stacking energy: -114.168 Base-Backbone interact. energy: -1.107 local terms energy: -224.956545 where: bonds (distance) C4'-P energy: -69.421 bonds (distance) P-C4' energy: -67.277 flat angles C4'-P-C4' energy: -83.138 flat angles P-C4'-P energy: -29.485 tors. eta vs tors. theta energy: 24.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1728.129968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.129968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.129968 (E_RNA) where: Base-Base interactions energy: -1201.376 where: short stacking energy: -514.133 Base-Backbone interact. energy: -1.107 local terms energy: -525.647444 where: bonds (distance) C4'-P energy: -89.549 bonds (distance) P-C4' energy: -96.016 flat angles C4'-P-C4' energy: -106.996 flat angles P-C4'-P energy: -79.225 tors. eta vs tors. theta energy: -153.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1575.994545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.994545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.994545 (E_RNA) where: Base-Base interactions energy: -1063.453 where: short stacking energy: -449.973 Base-Backbone interact. energy: -4.157 local terms energy: -508.385048 where: bonds (distance) C4'-P energy: -96.926 bonds (distance) P-C4' energy: -94.824 flat angles C4'-P-C4' energy: -114.300 flat angles P-C4'-P energy: -72.625 tors. eta vs tors. theta energy: -129.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1537.955538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.955538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.955538 (E_RNA) where: Base-Base interactions energy: -1045.829 where: short stacking energy: -461.079 Base-Backbone interact. energy: -3.118 local terms energy: -489.008677 where: bonds (distance) C4'-P energy: -91.395 bonds (distance) P-C4' energy: -94.083 flat angles C4'-P-C4' energy: -106.505 flat angles P-C4'-P energy: -68.911 tors. eta vs tors. theta energy: -128.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1473.829888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.829888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.829888 (E_RNA) where: Base-Base interactions energy: -1017.465 where: short stacking energy: -431.177 Base-Backbone interact. energy: -5.057 local terms energy: -451.307266 where: bonds (distance) C4'-P energy: -88.349 bonds (distance) P-C4' energy: -75.912 flat angles C4'-P-C4' energy: -97.412 flat angles P-C4'-P energy: -68.013 tors. eta vs tors. theta energy: -121.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1311.919454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.919454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.919454 (E_RNA) where: Base-Base interactions energy: -884.044 where: short stacking energy: -399.267 Base-Backbone interact. energy: -1.080 local terms energy: -426.794942 where: bonds (distance) C4'-P energy: -84.934 bonds (distance) P-C4' energy: -84.873 flat angles C4'-P-C4' energy: -100.105 flat angles P-C4'-P energy: -48.191 tors. eta vs tors. theta energy: -108.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1282.804755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.804755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.804755 (E_RNA) where: Base-Base interactions energy: -851.375 where: short stacking energy: -384.727 Base-Backbone interact. energy: -1.501 local terms energy: -429.929218 where: bonds (distance) C4'-P energy: -73.580 bonds (distance) P-C4' energy: -91.690 flat angles C4'-P-C4' energy: -96.050 flat angles P-C4'-P energy: -58.442 tors. eta vs tors. theta energy: -110.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -986.799811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.799811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.799811 (E_RNA) where: Base-Base interactions energy: -608.853 where: short stacking energy: -311.944 Base-Backbone interact. energy: 0.562 local terms energy: -378.508584 where: bonds (distance) C4'-P energy: -77.878 bonds (distance) P-C4' energy: -87.541 flat angles C4'-P-C4' energy: -83.359 flat angles P-C4'-P energy: -67.669 tors. eta vs tors. theta energy: -62.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -612.574379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.574379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.574379 (E_RNA) where: Base-Base interactions energy: -324.764 where: short stacking energy: -186.099 Base-Backbone interact. energy: -0.854 local terms energy: -286.956175 where: bonds (distance) C4'-P energy: -73.104 bonds (distance) P-C4' energy: -77.920 flat angles C4'-P-C4' energy: -62.004 flat angles P-C4'-P energy: -50.109 tors. eta vs tors. theta energy: -23.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -676.805108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.805108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.805108 (E_RNA) where: Base-Base interactions energy: -372.581 where: short stacking energy: -202.042 Base-Backbone interact. energy: 2.803 local terms energy: -307.028066 where: bonds (distance) C4'-P energy: -85.321 bonds (distance) P-C4' energy: -74.570 flat angles C4'-P-C4' energy: -72.932 flat angles P-C4'-P energy: -54.672 tors. eta vs tors. theta energy: -19.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -369.409221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.409221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.409221 (E_RNA) where: Base-Base interactions energy: -139.202 where: short stacking energy: -118.079 Base-Backbone interact. energy: 0.441 local terms energy: -230.648177 where: bonds (distance) C4'-P energy: -67.975 bonds (distance) P-C4' energy: -75.231 flat angles C4'-P-C4' energy: -58.134 flat angles P-C4'-P energy: -36.480 tors. eta vs tors. theta energy: 7.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1705.162262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.162262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.162262 (E_RNA) where: Base-Base interactions energy: -1142.635 where: short stacking energy: -511.650 Base-Backbone interact. energy: -1.804 local terms energy: -560.723392 where: bonds (distance) C4'-P energy: -100.674 bonds (distance) P-C4' energy: -97.965 flat angles C4'-P-C4' energy: -111.141 flat angles P-C4'-P energy: -82.882 tors. eta vs tors. theta energy: -168.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1545.251504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.251504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.251504 (E_RNA) where: Base-Base interactions energy: -1065.393 where: short stacking energy: -443.714 Base-Backbone interact. energy: 0.997 local terms energy: -480.854796 where: bonds (distance) C4'-P energy: -85.050 bonds (distance) P-C4' energy: -99.257 flat angles C4'-P-C4' energy: -100.302 flat angles P-C4'-P energy: -67.487 tors. eta vs tors. theta energy: -128.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1514.211137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.211137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.211137 (E_RNA) where: Base-Base interactions energy: -1041.536 where: short stacking energy: -451.387 Base-Backbone interact. energy: -0.262 local terms energy: -472.412523 where: bonds (distance) C4'-P energy: -76.574 bonds (distance) P-C4' energy: -94.387 flat angles C4'-P-C4' energy: -100.450 flat angles P-C4'-P energy: -71.711 tors. eta vs tors. theta energy: -129.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1498.250861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.250861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.250861 (E_RNA) where: Base-Base interactions energy: -1047.012 where: short stacking energy: -476.196 Base-Backbone interact. energy: -0.757 local terms energy: -450.481240 where: bonds (distance) C4'-P energy: -72.625 bonds (distance) P-C4' energy: -87.594 flat angles C4'-P-C4' energy: -99.205 flat angles P-C4'-P energy: -66.022 tors. eta vs tors. theta energy: -125.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1369.439221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.439221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.439221 (E_RNA) where: Base-Base interactions energy: -907.028 where: short stacking energy: -409.468 Base-Backbone interact. energy: -1.227 local terms energy: -461.184190 where: bonds (distance) C4'-P energy: -86.799 bonds (distance) P-C4' energy: -94.261 flat angles C4'-P-C4' energy: -100.438 flat angles P-C4'-P energy: -64.478 tors. eta vs tors. theta energy: -115.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1282.948305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.948305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.948305 (E_RNA) where: Base-Base interactions energy: -850.925 where: short stacking energy: -374.166 Base-Backbone interact. energy: -3.311 local terms energy: -428.712518 where: bonds (distance) C4'-P energy: -85.828 bonds (distance) P-C4' energy: -87.566 flat angles C4'-P-C4' energy: -95.976 flat angles P-C4'-P energy: -51.847 tors. eta vs tors. theta energy: -107.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -939.151830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.151830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.151830 (E_RNA) where: Base-Base interactions energy: -559.691 where: short stacking energy: -298.652 Base-Backbone interact. energy: -0.620 local terms energy: -378.840531 where: bonds (distance) C4'-P energy: -81.429 bonds (distance) P-C4' energy: -82.125 flat angles C4'-P-C4' energy: -85.189 flat angles P-C4'-P energy: -54.177 tors. eta vs tors. theta energy: -75.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -705.315664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.315664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.315664 (E_RNA) where: Base-Base interactions energy: -398.055 where: short stacking energy: -218.154 Base-Backbone interact. energy: 1.262 local terms energy: -308.522699 where: bonds (distance) C4'-P energy: -68.328 bonds (distance) P-C4' energy: -86.514 flat angles C4'-P-C4' energy: -77.002 flat angles P-C4'-P energy: -48.633 tors. eta vs tors. theta energy: -28.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -680.176213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.176213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.176213 (E_RNA) where: Base-Base interactions energy: -382.559 where: short stacking energy: -203.063 Base-Backbone interact. energy: -2.480 local terms energy: -295.137449 where: bonds (distance) C4'-P energy: -81.874 bonds (distance) P-C4' energy: -77.553 flat angles C4'-P-C4' energy: -57.250 flat angles P-C4'-P energy: -51.220 tors. eta vs tors. theta energy: -27.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -371.766885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.766885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.766885 (E_RNA) where: Base-Base interactions energy: -132.756 where: short stacking energy: -108.479 Base-Backbone interact. energy: -1.435 local terms energy: -237.575400 where: bonds (distance) C4'-P energy: -68.704 bonds (distance) P-C4' energy: -60.685 flat angles C4'-P-C4' energy: -70.319 flat angles P-C4'-P energy: -45.699 tors. eta vs tors. theta energy: 7.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1715.951256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.951256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.951256 (E_RNA) where: Base-Base interactions energy: -1170.674 where: short stacking energy: -527.666 Base-Backbone interact. energy: 0.353 local terms energy: -545.630407 where: bonds (distance) C4'-P energy: -92.812 bonds (distance) P-C4' energy: -99.529 flat angles C4'-P-C4' energy: -112.400 flat angles P-C4'-P energy: -78.591 tors. eta vs tors. theta energy: -162.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1563.773040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.773040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.773040 (E_RNA) where: Base-Base interactions energy: -1087.486 where: short stacking energy: -477.494 Base-Backbone interact. energy: -2.209 local terms energy: -474.078078 where: bonds (distance) C4'-P energy: -80.625 bonds (distance) P-C4' energy: -81.620 flat angles C4'-P-C4' energy: -105.503 flat angles P-C4'-P energy: -65.642 tors. eta vs tors. theta energy: -140.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1502.695214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.695214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.695214 (E_RNA) where: Base-Base interactions energy: -1042.273 where: short stacking energy: -456.882 Base-Backbone interact. energy: -2.568 local terms energy: -457.854678 where: bonds (distance) C4'-P energy: -82.541 bonds (distance) P-C4' energy: -87.977 flat angles C4'-P-C4' energy: -91.413 flat angles P-C4'-P energy: -66.070 tors. eta vs tors. theta energy: -129.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1536.026478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.026478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.026478 (E_RNA) where: Base-Base interactions energy: -1064.923 where: short stacking energy: -489.643 Base-Backbone interact. energy: -5.155 local terms energy: -465.948684 where: bonds (distance) C4'-P energy: -85.711 bonds (distance) P-C4' energy: -81.020 flat angles C4'-P-C4' energy: -100.009 flat angles P-C4'-P energy: -63.481 tors. eta vs tors. theta energy: -135.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1362.998421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.998421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.998421 (E_RNA) where: Base-Base interactions energy: -918.720 where: short stacking energy: -423.943 Base-Backbone interact. energy: -1.353 local terms energy: -442.925575 where: bonds (distance) C4'-P energy: -77.640 bonds (distance) P-C4' energy: -83.600 flat angles C4'-P-C4' energy: -99.902 flat angles P-C4'-P energy: -66.344 tors. eta vs tors. theta energy: -115.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1266.688745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.688745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.688745 (E_RNA) where: Base-Base interactions energy: -855.849 where: short stacking energy: -387.645 Base-Backbone interact. energy: 0.596 local terms energy: -411.435484 where: bonds (distance) C4'-P energy: -82.067 bonds (distance) P-C4' energy: -94.322 flat angles C4'-P-C4' energy: -84.917 flat angles P-C4'-P energy: -53.203 tors. eta vs tors. theta energy: -96.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -912.783524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.783524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.783524 (E_RNA) where: Base-Base interactions energy: -565.371 where: short stacking energy: -293.396 Base-Backbone interact. energy: 1.001 local terms energy: -348.414165 where: bonds (distance) C4'-P energy: -89.009 bonds (distance) P-C4' energy: -72.774 flat angles C4'-P-C4' energy: -81.963 flat angles P-C4'-P energy: -48.326 tors. eta vs tors. theta energy: -56.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -773.164907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.164907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.164907 (E_RNA) where: Base-Base interactions energy: -446.545 where: short stacking energy: -214.831 Base-Backbone interact. energy: -2.019 local terms energy: -324.600566 where: bonds (distance) C4'-P energy: -88.029 bonds (distance) P-C4' energy: -83.739 flat angles C4'-P-C4' energy: -76.447 flat angles P-C4'-P energy: -44.305 tors. eta vs tors. theta energy: -32.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -679.014592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.014592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.014592 (E_RNA) where: Base-Base interactions energy: -377.771 where: short stacking energy: -200.830 Base-Backbone interact. energy: 0.678 local terms energy: -301.921561 where: bonds (distance) C4'-P energy: -86.466 bonds (distance) P-C4' energy: -75.852 flat angles C4'-P-C4' energy: -72.705 flat angles P-C4'-P energy: -31.863 tors. eta vs tors. theta energy: -35.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -404.256584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.256584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.256584 (E_RNA) where: Base-Base interactions energy: -146.353 where: short stacking energy: -111.778 Base-Backbone interact. energy: -2.440 local terms energy: -255.463930 where: bonds (distance) C4'-P energy: -77.188 bonds (distance) P-C4' energy: -89.985 flat angles C4'-P-C4' energy: -78.643 flat angles P-C4'-P energy: -27.082 tors. eta vs tors. theta energy: 17.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1704.301055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.301055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.301055 (E_RNA) where: Base-Base interactions energy: -1191.421 where: short stacking energy: -516.597 Base-Backbone interact. energy: -0.231 local terms energy: -512.649137 where: bonds (distance) C4'-P energy: -87.851 bonds (distance) P-C4' energy: -89.411 flat angles C4'-P-C4' energy: -109.328 flat angles P-C4'-P energy: -70.174 tors. eta vs tors. theta energy: -155.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1557.849517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.849517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.849517 (E_RNA) where: Base-Base interactions energy: -1051.616 where: short stacking energy: -447.141 Base-Backbone interact. energy: -1.873 local terms energy: -504.360788 where: bonds (distance) C4'-P energy: -90.656 bonds (distance) P-C4' energy: -96.040 flat angles C4'-P-C4' energy: -104.003 flat angles P-C4'-P energy: -82.402 tors. eta vs tors. theta energy: -131.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1512.505252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.505252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.505252 (E_RNA) where: Base-Base interactions energy: -1041.690 where: short stacking energy: -438.830 Base-Backbone interact. energy: -2.394 local terms energy: -468.421238 where: bonds (distance) C4'-P energy: -82.082 bonds (distance) P-C4' energy: -93.263 flat angles C4'-P-C4' energy: -100.874 flat angles P-C4'-P energy: -58.666 tors. eta vs tors. theta energy: -133.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1470.477273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.477273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.477273 (E_RNA) where: Base-Base interactions energy: -1011.256 where: short stacking energy: -447.830 Base-Backbone interact. energy: -0.267 local terms energy: -458.954749 where: bonds (distance) C4'-P energy: -90.122 bonds (distance) P-C4' energy: -86.325 flat angles C4'-P-C4' energy: -98.121 flat angles P-C4'-P energy: -66.614 tors. eta vs tors. theta energy: -117.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1411.669464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.669464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.669464 (E_RNA) where: Base-Base interactions energy: -970.319 where: short stacking energy: -437.249 Base-Backbone interact. energy: -2.918 local terms energy: -438.432324 where: bonds (distance) C4'-P energy: -80.294 bonds (distance) P-C4' energy: -75.940 flat angles C4'-P-C4' energy: -100.809 flat angles P-C4'-P energy: -63.237 tors. eta vs tors. theta energy: -118.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1250.680124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.680124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.680124 (E_RNA) where: Base-Base interactions energy: -823.320 where: short stacking energy: -369.600 Base-Backbone interact. energy: -3.543 local terms energy: -423.816807 where: bonds (distance) C4'-P energy: -77.247 bonds (distance) P-C4' energy: -89.934 flat angles C4'-P-C4' energy: -92.840 flat angles P-C4'-P energy: -66.117 tors. eta vs tors. theta energy: -97.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -955.128184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.128184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.128184 (E_RNA) where: Base-Base interactions energy: -580.028 where: short stacking energy: -287.273 Base-Backbone interact. energy: 0.695 local terms energy: -375.795301 where: bonds (distance) C4'-P energy: -77.851 bonds (distance) P-C4' energy: -83.648 flat angles C4'-P-C4' energy: -84.866 flat angles P-C4'-P energy: -68.047 tors. eta vs tors. theta energy: -61.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -823.090618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.090618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.090618 (E_RNA) where: Base-Base interactions energy: -492.477 where: short stacking energy: -225.478 Base-Backbone interact. energy: 11.778 local terms energy: -342.391643 where: bonds (distance) C4'-P energy: -77.948 bonds (distance) P-C4' energy: -86.120 flat angles C4'-P-C4' energy: -83.182 flat angles P-C4'-P energy: -52.651 tors. eta vs tors. theta energy: -42.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -577.323135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.323135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.323135 (E_RNA) where: Base-Base interactions energy: -309.015 where: short stacking energy: -170.111 Base-Backbone interact. energy: 0.130 local terms energy: -268.438565 where: bonds (distance) C4'-P energy: -78.682 bonds (distance) P-C4' energy: -88.242 flat angles C4'-P-C4' energy: -59.993 flat angles P-C4'-P energy: -34.618 tors. eta vs tors. theta energy: -6.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -428.511238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.511238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.511238 (E_RNA) where: Base-Base interactions energy: -189.681 where: short stacking energy: -101.732 Base-Backbone interact. energy: 4.807 local terms energy: -243.637215 where: bonds (distance) C4'-P energy: -79.584 bonds (distance) P-C4' energy: -75.889 flat angles C4'-P-C4' energy: -61.604 flat angles P-C4'-P energy: -40.194 tors. eta vs tors. theta energy: 13.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1699.642360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.642360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.642360 (E_RNA) where: Base-Base interactions energy: -1156.867 where: short stacking energy: -507.504 Base-Backbone interact. energy: -0.797 local terms energy: -541.978560 where: bonds (distance) C4'-P energy: -96.180 bonds (distance) P-C4' energy: -101.508 flat angles C4'-P-C4' energy: -114.402 flat angles P-C4'-P energy: -77.520 tors. eta vs tors. theta energy: -152.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1574.424193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.424193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.424193 (E_RNA) where: Base-Base interactions energy: -1065.857 where: short stacking energy: -478.171 Base-Backbone interact. energy: -2.011 local terms energy: -506.555478 where: bonds (distance) C4'-P energy: -92.655 bonds (distance) P-C4' energy: -101.418 flat angles C4'-P-C4' energy: -104.405 flat angles P-C4'-P energy: -64.226 tors. eta vs tors. theta energy: -143.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1519.820910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.820910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.820910 (E_RNA) where: Base-Base interactions energy: -1041.829 where: short stacking energy: -453.535 Base-Backbone interact. energy: 3.278 local terms energy: -481.270396 where: bonds (distance) C4'-P energy: -90.143 bonds (distance) P-C4' energy: -87.704 flat angles C4'-P-C4' energy: -108.272 flat angles P-C4'-P energy: -68.797 tors. eta vs tors. theta energy: -126.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1476.481686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.481686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.481686 (E_RNA) where: Base-Base interactions energy: -1023.461 where: short stacking energy: -431.236 Base-Backbone interact. energy: -2.152 local terms energy: -450.869067 where: bonds (distance) C4'-P energy: -76.617 bonds (distance) P-C4' energy: -82.465 flat angles C4'-P-C4' energy: -100.804 flat angles P-C4'-P energy: -70.411 tors. eta vs tors. theta energy: -120.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1419.960515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.960515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.960515 (E_RNA) where: Base-Base interactions energy: -966.569 where: short stacking energy: -437.359 Base-Backbone interact. energy: -2.349 local terms energy: -451.042175 where: bonds (distance) C4'-P energy: -82.521 bonds (distance) P-C4' energy: -81.643 flat angles C4'-P-C4' energy: -87.681 flat angles P-C4'-P energy: -72.633 tors. eta vs tors. theta energy: -126.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1262.022221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.022221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.022221 (E_RNA) where: Base-Base interactions energy: -847.499 where: short stacking energy: -385.078 Base-Backbone interact. energy: -0.161 local terms energy: -414.362560 where: bonds (distance) C4'-P energy: -84.017 bonds (distance) P-C4' energy: -85.881 flat angles C4'-P-C4' energy: -79.504 flat angles P-C4'-P energy: -55.623 tors. eta vs tors. theta energy: -109.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -969.431483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.431483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.431483 (E_RNA) where: Base-Base interactions energy: -608.977 where: short stacking energy: -299.551 Base-Backbone interact. energy: 0.630 local terms energy: -361.084328 where: bonds (distance) C4'-P energy: -78.884 bonds (distance) P-C4' energy: -79.583 flat angles C4'-P-C4' energy: -86.319 flat angles P-C4'-P energy: -59.319 tors. eta vs tors. theta energy: -56.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -786.447117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.447117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.447117 (E_RNA) where: Base-Base interactions energy: -456.374 where: short stacking energy: -220.482 Base-Backbone interact. energy: -0.270 local terms energy: -329.803330 where: bonds (distance) C4'-P energy: -89.365 bonds (distance) P-C4' energy: -76.759 flat angles C4'-P-C4' energy: -74.775 flat angles P-C4'-P energy: -52.376 tors. eta vs tors. theta energy: -36.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -577.860513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.860513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.860513 (E_RNA) where: Base-Base interactions energy: -311.388 where: short stacking energy: -183.323 Base-Backbone interact. energy: 3.124 local terms energy: -269.596468 where: bonds (distance) C4'-P energy: -82.739 bonds (distance) P-C4' energy: -77.268 flat angles C4'-P-C4' energy: -63.129 flat angles P-C4'-P energy: -31.853 tors. eta vs tors. theta energy: -14.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -435.077099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.077099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.077099 (E_RNA) where: Base-Base interactions energy: -170.302 where: short stacking energy: -122.518 Base-Backbone interact. energy: -1.530 local terms energy: -263.245239 where: bonds (distance) C4'-P energy: -86.436 bonds (distance) P-C4' energy: -71.733 flat angles C4'-P-C4' energy: -70.644 flat angles P-C4'-P energy: -36.725 tors. eta vs tors. theta energy: 2.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1674.469948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.469948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.469948 (E_RNA) where: Base-Base interactions energy: -1143.951 where: short stacking energy: -487.657 Base-Backbone interact. energy: -1.290 local terms energy: -529.229337 where: bonds (distance) C4'-P energy: -88.459 bonds (distance) P-C4' energy: -99.383 flat angles C4'-P-C4' energy: -108.179 flat angles P-C4'-P energy: -78.033 tors. eta vs tors. theta energy: -155.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1580.150091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.150091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.150091 (E_RNA) where: Base-Base interactions energy: -1067.661 where: short stacking energy: -476.346 Base-Backbone interact. energy: -2.466 local terms energy: -510.022341 where: bonds (distance) C4'-P energy: -91.674 bonds (distance) P-C4' energy: -91.133 flat angles C4'-P-C4' energy: -108.419 flat angles P-C4'-P energy: -66.596 tors. eta vs tors. theta energy: -152.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1517.555561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.555561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.555561 (E_RNA) where: Base-Base interactions energy: -1042.655 where: short stacking energy: -451.663 Base-Backbone interact. energy: -0.333 local terms energy: -474.568083 where: bonds (distance) C4'-P energy: -79.804 bonds (distance) P-C4' energy: -98.025 flat angles C4'-P-C4' energy: -100.358 flat angles P-C4'-P energy: -69.516 tors. eta vs tors. theta energy: -126.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1449.833313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.833313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.833313 (E_RNA) where: Base-Base interactions energy: -984.479 where: short stacking energy: -427.503 Base-Backbone interact. energy: -3.809 local terms energy: -461.545044 where: bonds (distance) C4'-P energy: -80.613 bonds (distance) P-C4' energy: -94.819 flat angles C4'-P-C4' energy: -102.867 flat angles P-C4'-P energy: -64.962 tors. eta vs tors. theta energy: -118.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1423.522351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.522351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.522351 (E_RNA) where: Base-Base interactions energy: -974.006 where: short stacking energy: -423.959 Base-Backbone interact. energy: -1.301 local terms energy: -448.216185 where: bonds (distance) C4'-P energy: -83.283 bonds (distance) P-C4' energy: -85.054 flat angles C4'-P-C4' energy: -97.858 flat angles P-C4'-P energy: -60.890 tors. eta vs tors. theta energy: -121.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1292.168488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.168488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.168488 (E_RNA) where: Base-Base interactions energy: -851.651 where: short stacking energy: -390.154 Base-Backbone interact. energy: 0.460 local terms energy: -440.976715 where: bonds (distance) C4'-P energy: -97.622 bonds (distance) P-C4' energy: -97.241 flat angles C4'-P-C4' energy: -87.469 flat angles P-C4'-P energy: -53.665 tors. eta vs tors. theta energy: -104.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -950.641344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.641344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.641344 (E_RNA) where: Base-Base interactions energy: -595.357 where: short stacking energy: -297.706 Base-Backbone interact. energy: -1.002 local terms energy: -354.281786 where: bonds (distance) C4'-P energy: -82.125 bonds (distance) P-C4' energy: -69.641 flat angles C4'-P-C4' energy: -88.855 flat angles P-C4'-P energy: -55.095 tors. eta vs tors. theta energy: -58.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -773.131552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.131552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.131552 (E_RNA) where: Base-Base interactions energy: -453.958 where: short stacking energy: -231.885 Base-Backbone interact. energy: 0.395 local terms energy: -319.568885 where: bonds (distance) C4'-P energy: -86.053 bonds (distance) P-C4' energy: -77.100 flat angles C4'-P-C4' energy: -76.610 flat angles P-C4'-P energy: -36.513 tors. eta vs tors. theta energy: -43.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -547.165691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.165691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.165691 (E_RNA) where: Base-Base interactions energy: -270.197 where: short stacking energy: -167.077 Base-Backbone interact. energy: 6.064 local terms energy: -283.032695 where: bonds (distance) C4'-P energy: -82.701 bonds (distance) P-C4' energy: -75.114 flat angles C4'-P-C4' energy: -77.238 flat angles P-C4'-P energy: -34.170 tors. eta vs tors. theta energy: -13.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -394.460964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.460964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.460964 (E_RNA) where: Base-Base interactions energy: -155.031 where: short stacking energy: -127.026 Base-Backbone interact. energy: -1.940 local terms energy: -237.489827 where: bonds (distance) C4'-P energy: -75.415 bonds (distance) P-C4' energy: -77.966 flat angles C4'-P-C4' energy: -54.882 flat angles P-C4'-P energy: -31.330 tors. eta vs tors. theta energy: 2.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1676.861643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.861643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.861643 (E_RNA) where: Base-Base interactions energy: -1155.053 where: short stacking energy: -504.718 Base-Backbone interact. energy: -2.391 local terms energy: -519.417308 where: bonds (distance) C4'-P energy: -93.753 bonds (distance) P-C4' energy: -94.891 flat angles C4'-P-C4' energy: -100.590 flat angles P-C4'-P energy: -72.667 tors. eta vs tors. theta energy: -157.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1576.786298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.786298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.786298 (E_RNA) where: Base-Base interactions energy: -1068.020 where: short stacking energy: -465.192 Base-Backbone interact. energy: -2.477 local terms energy: -506.288839 where: bonds (distance) C4'-P energy: -94.574 bonds (distance) P-C4' energy: -88.675 flat angles C4'-P-C4' energy: -105.459 flat angles P-C4'-P energy: -74.542 tors. eta vs tors. theta energy: -143.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1506.322905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.322905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.322905 (E_RNA) where: Base-Base interactions energy: -1038.687 where: short stacking energy: -435.672 Base-Backbone interact. energy: -3.371 local terms energy: -464.264909 where: bonds (distance) C4'-P energy: -84.831 bonds (distance) P-C4' energy: -78.859 flat angles C4'-P-C4' energy: -102.332 flat angles P-C4'-P energy: -61.146 tors. eta vs tors. theta energy: -137.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1469.162524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.162524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.162524 (E_RNA) where: Base-Base interactions energy: -1013.179 where: short stacking energy: -441.601 Base-Backbone interact. energy: -1.280 local terms energy: -454.703876 where: bonds (distance) C4'-P energy: -86.787 bonds (distance) P-C4' energy: -82.871 flat angles C4'-P-C4' energy: -92.747 flat angles P-C4'-P energy: -72.706 tors. eta vs tors. theta energy: -119.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1461.667842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.667842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.667842 (E_RNA) where: Base-Base interactions energy: -1010.404 where: short stacking energy: -444.839 Base-Backbone interact. energy: -1.974 local terms energy: -449.289837 where: bonds (distance) C4'-P energy: -79.696 bonds (distance) P-C4' energy: -87.675 flat angles C4'-P-C4' energy: -98.906 flat angles P-C4'-P energy: -55.471 tors. eta vs tors. theta energy: -127.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1244.371477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.371477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.371477 (E_RNA) where: Base-Base interactions energy: -823.445 where: short stacking energy: -381.631 Base-Backbone interact. energy: 0.002 local terms energy: -420.928637 where: bonds (distance) C4'-P energy: -83.218 bonds (distance) P-C4' energy: -79.404 flat angles C4'-P-C4' energy: -92.027 flat angles P-C4'-P energy: -64.125 tors. eta vs tors. theta energy: -102.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -939.719124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.719124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.719124 (E_RNA) where: Base-Base interactions energy: -572.926 where: short stacking energy: -268.891 Base-Backbone interact. energy: -2.099 local terms energy: -364.693852 where: bonds (distance) C4'-P energy: -78.758 bonds (distance) P-C4' energy: -90.739 flat angles C4'-P-C4' energy: -85.206 flat angles P-C4'-P energy: -63.261 tors. eta vs tors. theta energy: -46.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -814.915969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.915969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.915969 (E_RNA) where: Base-Base interactions energy: -497.628 where: short stacking energy: -243.462 Base-Backbone interact. energy: 7.085 local terms energy: -324.373056 where: bonds (distance) C4'-P energy: -73.955 bonds (distance) P-C4' energy: -86.847 flat angles C4'-P-C4' energy: -71.885 flat angles P-C4'-P energy: -53.705 tors. eta vs tors. theta energy: -37.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -537.231210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.231210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.231210 (E_RNA) where: Base-Base interactions energy: -237.151 where: short stacking energy: -143.321 Base-Backbone interact. energy: -1.894 local terms energy: -298.186205 where: bonds (distance) C4'-P energy: -80.044 bonds (distance) P-C4' energy: -85.444 flat angles C4'-P-C4' energy: -85.540 flat angles P-C4'-P energy: -48.617 tors. eta vs tors. theta energy: 1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -421.976808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.976808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.976808 (E_RNA) where: Base-Base interactions energy: -178.733 where: short stacking energy: -110.763 Base-Backbone interact. energy: 0.560 local terms energy: -243.804525 where: bonds (distance) C4'-P energy: -63.066 bonds (distance) P-C4' energy: -82.619 flat angles C4'-P-C4' energy: -65.981 flat angles P-C4'-P energy: -40.780 tors. eta vs tors. theta energy: 8.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1695.605715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.605715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.605715 (E_RNA) where: Base-Base interactions energy: -1156.482 where: short stacking energy: -511.993 Base-Backbone interact. energy: -0.808 local terms energy: -538.316681 where: bonds (distance) C4'-P energy: -95.964 bonds (distance) P-C4' energy: -89.707 flat angles C4'-P-C4' energy: -116.461 flat angles P-C4'-P energy: -72.310 tors. eta vs tors. theta energy: -163.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1547.315634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.315634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.315634 (E_RNA) where: Base-Base interactions energy: -1056.700 where: short stacking energy: -458.533 Base-Backbone interact. energy: -0.502 local terms energy: -490.113338 where: bonds (distance) C4'-P energy: -98.767 bonds (distance) P-C4' energy: -90.536 flat angles C4'-P-C4' energy: -100.056 flat angles P-C4'-P energy: -70.269 tors. eta vs tors. theta energy: -130.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1496.263594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.263594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.263594 (E_RNA) where: Base-Base interactions energy: -1016.670 where: short stacking energy: -450.788 Base-Backbone interact. energy: -2.090 local terms energy: -477.503565 where: bonds (distance) C4'-P energy: -84.642 bonds (distance) P-C4' energy: -88.143 flat angles C4'-P-C4' energy: -102.157 flat angles P-C4'-P energy: -70.627 tors. eta vs tors. theta energy: -131.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1484.569771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.569771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.569771 (E_RNA) where: Base-Base interactions energy: -1023.672 where: short stacking energy: -431.537 Base-Backbone interact. energy: -0.124 local terms energy: -460.774522 where: bonds (distance) C4'-P energy: -86.090 bonds (distance) P-C4' energy: -80.250 flat angles C4'-P-C4' energy: -102.149 flat angles P-C4'-P energy: -64.556 tors. eta vs tors. theta energy: -127.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1465.975663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.975663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.975663 (E_RNA) where: Base-Base interactions energy: -1014.226 where: short stacking energy: -464.142 Base-Backbone interact. energy: -3.032 local terms energy: -448.717639 where: bonds (distance) C4'-P energy: -72.052 bonds (distance) P-C4' energy: -87.505 flat angles C4'-P-C4' energy: -97.775 flat angles P-C4'-P energy: -63.787 tors. eta vs tors. theta energy: -127.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1261.039434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.039434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.039434 (E_RNA) where: Base-Base interactions energy: -840.313 where: short stacking energy: -402.378 Base-Backbone interact. energy: -1.078 local terms energy: -419.648935 where: bonds (distance) C4'-P energy: -78.165 bonds (distance) P-C4' energy: -77.231 flat angles C4'-P-C4' energy: -101.521 flat angles P-C4'-P energy: -54.557 tors. eta vs tors. theta energy: -108.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -843.118823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.118823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.118823 (E_RNA) where: Base-Base interactions energy: -522.844 where: short stacking energy: -262.369 Base-Backbone interact. energy: -2.340 local terms energy: -317.934830 where: bonds (distance) C4'-P energy: -63.766 bonds (distance) P-C4' energy: -74.006 flat angles C4'-P-C4' energy: -84.126 flat angles P-C4'-P energy: -46.874 tors. eta vs tors. theta energy: -49.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -906.095935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.095935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.095935 (E_RNA) where: Base-Base interactions energy: -569.411 where: short stacking energy: -273.921 Base-Backbone interact. energy: -0.391 local terms energy: -336.294249 where: bonds (distance) C4'-P energy: -70.284 bonds (distance) P-C4' energy: -78.672 flat angles C4'-P-C4' energy: -82.091 flat angles P-C4'-P energy: -44.701 tors. eta vs tors. theta energy: -60.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -545.990584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.990584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.990584 (E_RNA) where: Base-Base interactions energy: -243.211 where: short stacking energy: -134.496 Base-Backbone interact. energy: 0.684 local terms energy: -303.463336 where: bonds (distance) C4'-P energy: -84.503 bonds (distance) P-C4' energy: -80.841 flat angles C4'-P-C4' energy: -78.928 flat angles P-C4'-P energy: -46.102 tors. eta vs tors. theta energy: -13.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -370.076581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.076581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.076581 (E_RNA) where: Base-Base interactions energy: -124.899 where: short stacking energy: -112.304 Base-Backbone interact. energy: 3.507 local terms energy: -248.684213 where: bonds (distance) C4'-P energy: -86.442 bonds (distance) P-C4' energy: -73.855 flat angles C4'-P-C4' energy: -68.291 flat angles P-C4'-P energy: -44.568 tors. eta vs tors. theta energy: 24.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1700.853477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.853477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.853477 (E_RNA) where: Base-Base interactions energy: -1159.701 where: short stacking energy: -511.100 Base-Backbone interact. energy: -2.625 local terms energy: -538.526853 where: bonds (distance) C4'-P energy: -99.191 bonds (distance) P-C4' energy: -93.139 flat angles C4'-P-C4' energy: -110.880 flat angles P-C4'-P energy: -78.390 tors. eta vs tors. theta energy: -156.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1572.452384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.452384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.452384 (E_RNA) where: Base-Base interactions energy: -1078.617 where: short stacking energy: -462.406 Base-Backbone interact. energy: -3.860 local terms energy: -489.975253 where: bonds (distance) C4'-P energy: -86.793 bonds (distance) P-C4' energy: -89.581 flat angles C4'-P-C4' energy: -107.122 flat angles P-C4'-P energy: -66.565 tors. eta vs tors. theta energy: -139.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1485.592215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.592215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.592215 (E_RNA) where: Base-Base interactions energy: -983.525 where: short stacking energy: -438.170 Base-Backbone interact. energy: -0.619 local terms energy: -501.447964 where: bonds (distance) C4'-P energy: -97.246 bonds (distance) P-C4' energy: -94.629 flat angles C4'-P-C4' energy: -101.344 flat angles P-C4'-P energy: -82.124 tors. eta vs tors. theta energy: -126.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1470.799416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.799416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.799416 (E_RNA) where: Base-Base interactions energy: -1010.766 where: short stacking energy: -451.267 Base-Backbone interact. energy: -1.757 local terms energy: -458.276212 where: bonds (distance) C4'-P energy: -80.679 bonds (distance) P-C4' energy: -84.911 flat angles C4'-P-C4' energy: -90.722 flat angles P-C4'-P energy: -60.517 tors. eta vs tors. theta energy: -141.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1420.010330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.010330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.010330 (E_RNA) where: Base-Base interactions energy: -948.994 where: short stacking energy: -420.183 Base-Backbone interact. energy: -1.900 local terms energy: -469.115759 where: bonds (distance) C4'-P energy: -86.206 bonds (distance) P-C4' energy: -89.650 flat angles C4'-P-C4' energy: -102.556 flat angles P-C4'-P energy: -66.705 tors. eta vs tors. theta energy: -123.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1267.173051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.173051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.173051 (E_RNA) where: Base-Base interactions energy: -837.273 where: short stacking energy: -378.098 Base-Backbone interact. energy: -0.945 local terms energy: -428.954176 where: bonds (distance) C4'-P energy: -75.022 bonds (distance) P-C4' energy: -86.747 flat angles C4'-P-C4' energy: -99.166 flat angles P-C4'-P energy: -57.818 tors. eta vs tors. theta energy: -110.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -869.640270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.640270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.640270 (E_RNA) where: Base-Base interactions energy: -506.517 where: short stacking energy: -258.318 Base-Backbone interact. energy: -0.822 local terms energy: -362.301886 where: bonds (distance) C4'-P energy: -70.092 bonds (distance) P-C4' energy: -80.320 flat angles C4'-P-C4' energy: -86.521 flat angles P-C4'-P energy: -59.153 tors. eta vs tors. theta energy: -66.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -911.670902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.670902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.670902 (E_RNA) where: Base-Base interactions energy: -551.544 where: short stacking energy: -274.753 Base-Backbone interact. energy: -2.516 local terms energy: -357.611198 where: bonds (distance) C4'-P energy: -73.285 bonds (distance) P-C4' energy: -89.226 flat angles C4'-P-C4' energy: -78.735 flat angles P-C4'-P energy: -55.474 tors. eta vs tors. theta energy: -60.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -522.045799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.045799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.045799 (E_RNA) where: Base-Base interactions energy: -279.179 where: short stacking energy: -155.694 Base-Backbone interact. energy: 1.643 local terms energy: -244.510206 where: bonds (distance) C4'-P energy: -77.839 bonds (distance) P-C4' energy: -72.395 flat angles C4'-P-C4' energy: -72.574 flat angles P-C4'-P energy: -16.804 tors. eta vs tors. theta energy: -4.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -386.307541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.307541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.307541 (E_RNA) where: Base-Base interactions energy: -124.922 where: short stacking energy: -105.999 Base-Backbone interact. energy: -0.848 local terms energy: -260.537594 where: bonds (distance) C4'-P energy: -94.631 bonds (distance) P-C4' energy: -77.698 flat angles C4'-P-C4' energy: -62.709 flat angles P-C4'-P energy: -37.218 tors. eta vs tors. theta energy: 11.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1704.653767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.653767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.653767 (E_RNA) where: Base-Base interactions energy: -1171.054 where: short stacking energy: -514.657 Base-Backbone interact. energy: -0.609 local terms energy: -532.990045 where: bonds (distance) C4'-P energy: -94.916 bonds (distance) P-C4' energy: -98.300 flat angles C4'-P-C4' energy: -108.236 flat angles P-C4'-P energy: -73.756 tors. eta vs tors. theta energy: -157.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1580.287817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.287817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.287817 (E_RNA) where: Base-Base interactions energy: -1083.681 where: short stacking energy: -472.772 Base-Backbone interact. energy: -1.535 local terms energy: -495.071182 where: bonds (distance) C4'-P energy: -86.298 bonds (distance) P-C4' energy: -94.970 flat angles C4'-P-C4' energy: -106.496 flat angles P-C4'-P energy: -58.425 tors. eta vs tors. theta energy: -148.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1516.156216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.156216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.156216 (E_RNA) where: Base-Base interactions energy: -1037.284 where: short stacking energy: -438.273 Base-Backbone interact. energy: -2.014 local terms energy: -476.858076 where: bonds (distance) C4'-P energy: -81.027 bonds (distance) P-C4' energy: -98.977 flat angles C4'-P-C4' energy: -99.013 flat angles P-C4'-P energy: -69.935 tors. eta vs tors. theta energy: -127.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1431.939020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.939020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.939020 (E_RNA) where: Base-Base interactions energy: -962.306 where: short stacking energy: -407.153 Base-Backbone interact. energy: -2.010 local terms energy: -467.623625 where: bonds (distance) C4'-P energy: -91.607 bonds (distance) P-C4' energy: -85.881 flat angles C4'-P-C4' energy: -105.318 flat angles P-C4'-P energy: -65.351 tors. eta vs tors. theta energy: -119.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1428.728152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.728152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.728152 (E_RNA) where: Base-Base interactions energy: -959.122 where: short stacking energy: -411.157 Base-Backbone interact. energy: -2.707 local terms energy: -466.899087 where: bonds (distance) C4'-P energy: -91.975 bonds (distance) P-C4' energy: -89.998 flat angles C4'-P-C4' energy: -97.766 flat angles P-C4'-P energy: -70.282 tors. eta vs tors. theta energy: -116.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1251.443688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.443688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.443688 (E_RNA) where: Base-Base interactions energy: -853.252 where: short stacking energy: -385.643 Base-Backbone interact. energy: 0.372 local terms energy: -398.563712 where: bonds (distance) C4'-P energy: -66.906 bonds (distance) P-C4' energy: -71.143 flat angles C4'-P-C4' energy: -96.020 flat angles P-C4'-P energy: -57.875 tors. eta vs tors. theta energy: -106.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -959.852950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.852950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.852950 (E_RNA) where: Base-Base interactions energy: -603.773 where: short stacking energy: -288.149 Base-Backbone interact. energy: -3.774 local terms energy: -352.306225 where: bonds (distance) C4'-P energy: -73.286 bonds (distance) P-C4' energy: -82.400 flat angles C4'-P-C4' energy: -88.784 flat angles P-C4'-P energy: -44.048 tors. eta vs tors. theta energy: -63.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -840.815361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.815361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.815361 (E_RNA) where: Base-Base interactions energy: -518.913 where: short stacking energy: -251.583 Base-Backbone interact. energy: -1.533 local terms energy: -320.369109 where: bonds (distance) C4'-P energy: -71.898 bonds (distance) P-C4' energy: -67.241 flat angles C4'-P-C4' energy: -81.876 flat angles P-C4'-P energy: -52.272 tors. eta vs tors. theta energy: -47.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -523.995190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.995190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.995190 (E_RNA) where: Base-Base interactions energy: -244.820 where: short stacking energy: -156.932 Base-Backbone interact. energy: -1.955 local terms energy: -277.220939 where: bonds (distance) C4'-P energy: -79.558 bonds (distance) P-C4' energy: -84.453 flat angles C4'-P-C4' energy: -66.748 flat angles P-C4'-P energy: -39.604 tors. eta vs tors. theta energy: -6.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -384.491354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.491354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.491354 (E_RNA) where: Base-Base interactions energy: -151.747 where: short stacking energy: -127.721 Base-Backbone interact. energy: -2.373 local terms energy: -230.371772 where: bonds (distance) C4'-P energy: -63.757 bonds (distance) P-C4' energy: -86.741 flat angles C4'-P-C4' energy: -39.620 flat angles P-C4'-P energy: -41.891 tors. eta vs tors. theta energy: 1.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1699.882434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.882434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.882434 (E_RNA) where: Base-Base interactions energy: -1158.651 where: short stacking energy: -511.177 Base-Backbone interact. energy: -1.494 local terms energy: -539.738138 where: bonds (distance) C4'-P energy: -100.980 bonds (distance) P-C4' energy: -93.017 flat angles C4'-P-C4' energy: -106.716 flat angles P-C4'-P energy: -78.010 tors. eta vs tors. theta energy: -161.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1564.063379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.063379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.063379 (E_RNA) where: Base-Base interactions energy: -1080.368 where: short stacking energy: -464.949 Base-Backbone interact. energy: -2.683 local terms energy: -481.012417 where: bonds (distance) C4'-P energy: -77.185 bonds (distance) P-C4' energy: -85.928 flat angles C4'-P-C4' energy: -113.102 flat angles P-C4'-P energy: -67.493 tors. eta vs tors. theta energy: -137.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1523.182962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.182962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.182962 (E_RNA) where: Base-Base interactions energy: -1045.319 where: short stacking energy: -442.410 Base-Backbone interact. energy: -3.170 local terms energy: -474.694639 where: bonds (distance) C4'-P energy: -81.312 bonds (distance) P-C4' energy: -90.869 flat angles C4'-P-C4' energy: -106.559 flat angles P-C4'-P energy: -67.999 tors. eta vs tors. theta energy: -127.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1466.265180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.265180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.265180 (E_RNA) where: Base-Base interactions energy: -1017.797 where: short stacking energy: -468.763 Base-Backbone interact. energy: -0.786 local terms energy: -447.682320 where: bonds (distance) C4'-P energy: -79.070 bonds (distance) P-C4' energy: -82.587 flat angles C4'-P-C4' energy: -95.248 flat angles P-C4'-P energy: -60.427 tors. eta vs tors. theta energy: -130.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1390.208373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.208373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.208373 (E_RNA) where: Base-Base interactions energy: -926.710 where: short stacking energy: -421.089 Base-Backbone interact. energy: -2.227 local terms energy: -461.271064 where: bonds (distance) C4'-P energy: -75.425 bonds (distance) P-C4' energy: -95.259 flat angles C4'-P-C4' energy: -95.158 flat angles P-C4'-P energy: -66.673 tors. eta vs tors. theta energy: -128.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1265.516568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.516568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.516568 (E_RNA) where: Base-Base interactions energy: -846.433 where: short stacking energy: -365.421 Base-Backbone interact. energy: 2.049 local terms energy: -421.132879 where: bonds (distance) C4'-P energy: -89.836 bonds (distance) P-C4' energy: -86.782 flat angles C4'-P-C4' energy: -88.019 flat angles P-C4'-P energy: -56.111 tors. eta vs tors. theta energy: -100.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -930.682673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.682673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.682673 (E_RNA) where: Base-Base interactions energy: -592.477 where: short stacking energy: -260.540 Base-Backbone interact. energy: 0.428 local terms energy: -338.634025 where: bonds (distance) C4'-P energy: -70.048 bonds (distance) P-C4' energy: -75.169 flat angles C4'-P-C4' energy: -91.557 flat angles P-C4'-P energy: -50.144 tors. eta vs tors. theta energy: -51.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -855.184328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.184328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.184328 (E_RNA) where: Base-Base interactions energy: -491.130 where: short stacking energy: -270.403 Base-Backbone interact. energy: -1.056 local terms energy: -362.997984 where: bonds (distance) C4'-P energy: -90.158 bonds (distance) P-C4' energy: -61.880 flat angles C4'-P-C4' energy: -89.902 flat angles P-C4'-P energy: -53.958 tors. eta vs tors. theta energy: -67.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -533.194523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.194523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.194523 (E_RNA) where: Base-Base interactions energy: -265.987 where: short stacking energy: -166.694 Base-Backbone interact. energy: -1.842 local terms energy: -265.365094 where: bonds (distance) C4'-P energy: -69.284 bonds (distance) P-C4' energy: -77.816 flat angles C4'-P-C4' energy: -79.903 flat angles P-C4'-P energy: -32.809 tors. eta vs tors. theta energy: -5.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -382.932780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.932780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.932780 (E_RNA) where: Base-Base interactions energy: -114.269 where: short stacking energy: -104.718 Base-Backbone interact. energy: -0.501 local terms energy: -268.162214 where: bonds (distance) C4'-P energy: -76.858 bonds (distance) P-C4' energy: -79.108 flat angles C4'-P-C4' energy: -71.540 flat angles P-C4'-P energy: -43.413 tors. eta vs tors. theta energy: 2.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1713.595095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.595095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.595095 (E_RNA) where: Base-Base interactions energy: -1195.405 where: short stacking energy: -516.975 Base-Backbone interact. energy: -2.183 local terms energy: -516.006802 where: bonds (distance) C4'-P energy: -95.870 bonds (distance) P-C4' energy: -92.148 flat angles C4'-P-C4' energy: -103.548 flat angles P-C4'-P energy: -72.591 tors. eta vs tors. theta energy: -151.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1577.219526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.219526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.219526 (E_RNA) where: Base-Base interactions energy: -1094.530 where: short stacking energy: -480.431 Base-Backbone interact. energy: -3.218 local terms energy: -479.472132 where: bonds (distance) C4'-P energy: -90.471 bonds (distance) P-C4' energy: -84.610 flat angles C4'-P-C4' energy: -99.522 flat angles P-C4'-P energy: -71.437 tors. eta vs tors. theta energy: -133.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1541.867556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.867556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.867556 (E_RNA) where: Base-Base interactions energy: -1052.638 where: short stacking energy: -484.462 Base-Backbone interact. energy: 0.026 local terms energy: -489.254867 where: bonds (distance) C4'-P energy: -85.774 bonds (distance) P-C4' energy: -91.909 flat angles C4'-P-C4' energy: -103.001 flat angles P-C4'-P energy: -73.628 tors. eta vs tors. theta energy: -134.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -1437.192994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.192994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.192994 (E_RNA) where: Base-Base interactions energy: -966.100 where: short stacking energy: -450.710 Base-Backbone interact. energy: 0.142 local terms energy: -471.234781 where: bonds (distance) C4'-P energy: -91.954 bonds (distance) P-C4' energy: -83.579 flat angles C4'-P-C4' energy: -98.468 flat angles P-C4'-P energy: -68.790 tors. eta vs tors. theta energy: -128.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1337.750816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.750816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.750816 (E_RNA) where: Base-Base interactions energy: -927.499 where: short stacking energy: -391.933 Base-Backbone interact. energy: 0.422 local terms energy: -410.673141 where: bonds (distance) C4'-P energy: -73.265 bonds (distance) P-C4' energy: -77.062 flat angles C4'-P-C4' energy: -86.536 flat angles P-C4'-P energy: -56.674 tors. eta vs tors. theta energy: -117.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1244.888677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.888677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.888677 (E_RNA) where: Base-Base interactions energy: -832.190 where: short stacking energy: -375.432 Base-Backbone interact. energy: -0.120 local terms energy: -412.578579 where: bonds (distance) C4'-P energy: -88.779 bonds (distance) P-C4' energy: -76.585 flat angles C4'-P-C4' energy: -97.790 flat angles P-C4'-P energy: -46.395 tors. eta vs tors. theta energy: -103.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -932.777723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.777723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.777723 (E_RNA) where: Base-Base interactions energy: -593.573 where: short stacking energy: -289.721 Base-Backbone interact. energy: -1.119 local terms energy: -338.085554 where: bonds (distance) C4'-P energy: -71.638 bonds (distance) P-C4' energy: -66.110 flat angles C4'-P-C4' energy: -86.672 flat angles P-C4'-P energy: -48.341 tors. eta vs tors. theta energy: -65.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -831.837198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.837198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.837198 (E_RNA) where: Base-Base interactions energy: -485.604 where: short stacking energy: -224.282 Base-Backbone interact. energy: 4.271 local terms energy: -350.503619 where: bonds (distance) C4'-P energy: -87.776 bonds (distance) P-C4' energy: -91.503 flat angles C4'-P-C4' energy: -80.470 flat angles P-C4'-P energy: -42.685 tors. eta vs tors. theta energy: -48.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -407.917425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.917425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.917425 (E_RNA) where: Base-Base interactions energy: -149.874 where: short stacking energy: -131.058 Base-Backbone interact. energy: -1.787 local terms energy: -256.256504 where: bonds (distance) C4'-P energy: -74.522 bonds (distance) P-C4' energy: -82.764 flat angles C4'-P-C4' energy: -69.528 flat angles P-C4'-P energy: -41.915 tors. eta vs tors. theta energy: 12.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -541.833895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.833895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.833895 (E_RNA) where: Base-Base interactions energy: -255.712 where: short stacking energy: -164.528 Base-Backbone interact. energy: 1.704 local terms energy: -287.826561 where: bonds (distance) C4'-P energy: -89.217 bonds (distance) P-C4' energy: -69.952 flat angles C4'-P-C4' energy: -65.094 flat angles P-C4'-P energy: -50.767 tors. eta vs tors. theta energy: -12.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1714.049874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.049874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.049874 (E_RNA) where: Base-Base interactions energy: -1179.943 where: short stacking energy: -499.149 Base-Backbone interact. energy: -2.999 local terms energy: -531.108042 where: bonds (distance) C4'-P energy: -99.138 bonds (distance) P-C4' energy: -96.863 flat angles C4'-P-C4' energy: -104.884 flat angles P-C4'-P energy: -76.078 tors. eta vs tors. theta energy: -154.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1564.999635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.999635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.999635 (E_RNA) where: Base-Base interactions energy: -1054.697 where: short stacking energy: -459.074 Base-Backbone interact. energy: 0.653 local terms energy: -510.955623 where: bonds (distance) C4'-P energy: -106.234 bonds (distance) P-C4' energy: -92.863 flat angles C4'-P-C4' energy: -99.013 flat angles P-C4'-P energy: -67.963 tors. eta vs tors. theta energy: -144.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1527.706964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.706964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.706964 (E_RNA) where: Base-Base interactions energy: -1062.613 where: short stacking energy: -456.243 Base-Backbone interact. energy: -2.160 local terms energy: -462.934521 where: bonds (distance) C4'-P energy: -82.211 bonds (distance) P-C4' energy: -90.104 flat angles C4'-P-C4' energy: -101.765 flat angles P-C4'-P energy: -59.288 tors. eta vs tors. theta energy: -129.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1449.334725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.334725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.334725 (E_RNA) where: Base-Base interactions energy: -1000.382 where: short stacking energy: -422.028 Base-Backbone interact. energy: -0.936 local terms energy: -448.016444 where: bonds (distance) C4'-P energy: -93.765 bonds (distance) P-C4' energy: -69.433 flat angles C4'-P-C4' energy: -95.844 flat angles P-C4'-P energy: -71.432 tors. eta vs tors. theta energy: -117.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -1331.188763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.188763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.188763 (E_RNA) where: Base-Base interactions energy: -881.464 where: short stacking energy: -396.604 Base-Backbone interact. energy: -1.637 local terms energy: -448.087920 where: bonds (distance) C4'-P energy: -84.034 bonds (distance) P-C4' energy: -91.397 flat angles C4'-P-C4' energy: -94.096 flat angles P-C4'-P energy: -59.669 tors. eta vs tors. theta energy: -118.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1236.368172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.368172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.368172 (E_RNA) where: Base-Base interactions energy: -822.343 where: short stacking energy: -385.188 Base-Backbone interact. energy: -0.535 local terms energy: -413.490382 where: bonds (distance) C4'-P energy: -78.586 bonds (distance) P-C4' energy: -89.511 flat angles C4'-P-C4' energy: -84.227 flat angles P-C4'-P energy: -57.348 tors. eta vs tors. theta energy: -103.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -937.857717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.857717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.857717 (E_RNA) where: Base-Base interactions energy: -561.152 where: short stacking energy: -262.833 Base-Backbone interact. energy: -2.240 local terms energy: -374.465175 where: bonds (distance) C4'-P energy: -78.783 bonds (distance) P-C4' energy: -89.464 flat angles C4'-P-C4' energy: -85.478 flat angles P-C4'-P energy: -50.331 tors. eta vs tors. theta energy: -70.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -808.065319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.065319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.065319 (E_RNA) where: Base-Base interactions energy: -489.390 where: short stacking energy: -246.147 Base-Backbone interact. energy: 2.745 local terms energy: -321.420537 where: bonds (distance) C4'-P energy: -82.705 bonds (distance) P-C4' energy: -75.141 flat angles C4'-P-C4' energy: -73.600 flat angles P-C4'-P energy: -41.906 tors. eta vs tors. theta energy: -48.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -411.124797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.124797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.124797 (E_RNA) where: Base-Base interactions energy: -168.726 where: short stacking energy: -137.425 Base-Backbone interact. energy: -1.102 local terms energy: -241.296535 where: bonds (distance) C4'-P energy: -68.140 bonds (distance) P-C4' energy: -79.670 flat angles C4'-P-C4' energy: -52.997 flat angles P-C4'-P energy: -32.195 tors. eta vs tors. theta energy: -8.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -502.329618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.329618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.329618 (E_RNA) where: Base-Base interactions energy: -224.082 where: short stacking energy: -129.601 Base-Backbone interact. energy: -0.562 local terms energy: -277.685634 where: bonds (distance) C4'-P energy: -78.080 bonds (distance) P-C4' energy: -77.138 flat angles C4'-P-C4' energy: -80.354 flat angles P-C4'-P energy: -36.885 tors. eta vs tors. theta energy: -5.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1732.923195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.923195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.923195 (E_RNA) where: Base-Base interactions energy: -1190.761 where: short stacking energy: -517.978 Base-Backbone interact. energy: -1.846 local terms energy: -540.316210 where: bonds (distance) C4'-P energy: -95.137 bonds (distance) P-C4' energy: -99.932 flat angles C4'-P-C4' energy: -108.674 flat angles P-C4'-P energy: -74.107 tors. eta vs tors. theta energy: -162.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1590.330670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.330670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.330670 (E_RNA) where: Base-Base interactions energy: -1100.234 where: short stacking energy: -487.706 Base-Backbone interact. energy: -2.541 local terms energy: -487.555400 where: bonds (distance) C4'-P energy: -79.662 bonds (distance) P-C4' energy: -92.133 flat angles C4'-P-C4' energy: -105.880 flat angles P-C4'-P energy: -62.430 tors. eta vs tors. theta energy: -147.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1525.565447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.565447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.565447 (E_RNA) where: Base-Base interactions energy: -1058.729 where: short stacking energy: -477.356 Base-Backbone interact. energy: -2.317 local terms energy: -464.519149 where: bonds (distance) C4'-P energy: -79.677 bonds (distance) P-C4' energy: -84.738 flat angles C4'-P-C4' energy: -98.998 flat angles P-C4'-P energy: -66.118 tors. eta vs tors. theta energy: -134.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1430.157366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.157366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.157366 (E_RNA) where: Base-Base interactions energy: -990.690 where: short stacking energy: -410.791 Base-Backbone interact. energy: -3.236 local terms energy: -436.231573 where: bonds (distance) C4'-P energy: -73.852 bonds (distance) P-C4' energy: -95.536 flat angles C4'-P-C4' energy: -95.532 flat angles P-C4'-P energy: -66.270 tors. eta vs tors. theta energy: -105.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1336.155401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.155401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.155401 (E_RNA) where: Base-Base interactions energy: -892.830 where: short stacking energy: -406.603 Base-Backbone interact. energy: -2.826 local terms energy: -440.498983 where: bonds (distance) C4'-P energy: -80.285 bonds (distance) P-C4' energy: -85.073 flat angles C4'-P-C4' energy: -98.268 flat angles P-C4'-P energy: -53.579 tors. eta vs tors. theta energy: -123.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1253.677739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.677739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.677739 (E_RNA) where: Base-Base interactions energy: -846.486 where: short stacking energy: -387.775 Base-Backbone interact. energy: -1.189 local terms energy: -406.002360 where: bonds (distance) C4'-P energy: -66.925 bonds (distance) P-C4' energy: -78.370 flat angles C4'-P-C4' energy: -92.831 flat angles P-C4'-P energy: -55.439 tors. eta vs tors. theta energy: -112.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -865.776556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.776556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.776556 (E_RNA) where: Base-Base interactions energy: -529.142 where: short stacking energy: -262.488 Base-Backbone interact. energy: 1.446 local terms energy: -338.080248 where: bonds (distance) C4'-P energy: -69.158 bonds (distance) P-C4' energy: -77.357 flat angles C4'-P-C4' energy: -83.621 flat angles P-C4'-P energy: -53.541 tors. eta vs tors. theta energy: -54.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -850.718912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.718912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.718912 (E_RNA) where: Base-Base interactions energy: -500.440 where: short stacking energy: -250.257 Base-Backbone interact. energy: -3.024 local terms energy: -347.255243 where: bonds (distance) C4'-P energy: -86.685 bonds (distance) P-C4' energy: -63.508 flat angles C4'-P-C4' energy: -87.695 flat angles P-C4'-P energy: -51.180 tors. eta vs tors. theta energy: -58.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -552.356872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.356872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.356872 (E_RNA) where: Base-Base interactions energy: -285.933 where: short stacking energy: -164.981 Base-Backbone interact. energy: -1.361 local terms energy: -265.062725 where: bonds (distance) C4'-P energy: -78.592 bonds (distance) P-C4' energy: -88.457 flat angles C4'-P-C4' energy: -58.085 flat angles P-C4'-P energy: -34.380 tors. eta vs tors. theta energy: -5.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -386.082541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.082541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.082541 (E_RNA) where: Base-Base interactions energy: -125.146 where: short stacking energy: -113.278 Base-Backbone interact. energy: 2.739 local terms energy: -263.675261 where: bonds (distance) C4'-P energy: -69.874 bonds (distance) P-C4' energy: -79.473 flat angles C4'-P-C4' energy: -71.584 flat angles P-C4'-P energy: -45.762 tors. eta vs tors. theta energy: 3.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1711.458599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.458599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.458599 (E_RNA) where: Base-Base interactions energy: -1162.420 where: short stacking energy: -510.950 Base-Backbone interact. energy: 0.645 local terms energy: -549.683905 where: bonds (distance) C4'-P energy: -97.666 bonds (distance) P-C4' energy: -99.934 flat angles C4'-P-C4' energy: -108.851 flat angles P-C4'-P energy: -82.421 tors. eta vs tors. theta energy: -160.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1581.770694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.770694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.770694 (E_RNA) where: Base-Base interactions energy: -1067.919 where: short stacking energy: -470.777 Base-Backbone interact. energy: -2.925 local terms energy: -510.927017 where: bonds (distance) C4'-P energy: -106.501 bonds (distance) P-C4' energy: -86.313 flat angles C4'-P-C4' energy: -100.418 flat angles P-C4'-P energy: -71.585 tors. eta vs tors. theta energy: -146.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1551.426955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.426955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.426955 (E_RNA) where: Base-Base interactions energy: -1058.691 where: short stacking energy: -452.693 Base-Backbone interact. energy: -3.747 local terms energy: -488.989327 where: bonds (distance) C4'-P energy: -92.022 bonds (distance) P-C4' energy: -94.130 flat angles C4'-P-C4' energy: -97.408 flat angles P-C4'-P energy: -70.377 tors. eta vs tors. theta energy: -135.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1445.875658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.875658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.875658 (E_RNA) where: Base-Base interactions energy: -988.318 where: short stacking energy: -437.008 Base-Backbone interact. energy: -1.966 local terms energy: -455.591672 where: bonds (distance) C4'-P energy: -73.308 bonds (distance) P-C4' energy: -94.367 flat angles C4'-P-C4' energy: -101.089 flat angles P-C4'-P energy: -63.296 tors. eta vs tors. theta energy: -123.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1306.797381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.797381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.797381 (E_RNA) where: Base-Base interactions energy: -861.710 where: short stacking energy: -407.226 Base-Backbone interact. energy: -1.742 local terms energy: -443.345384 where: bonds (distance) C4'-P energy: -82.822 bonds (distance) P-C4' energy: -93.992 flat angles C4'-P-C4' energy: -93.425 flat angles P-C4'-P energy: -65.521 tors. eta vs tors. theta energy: -107.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1293.518819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.518819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.518819 (E_RNA) where: Base-Base interactions energy: -846.857 where: short stacking energy: -394.364 Base-Backbone interact. energy: 0.386 local terms energy: -447.047092 where: bonds (distance) C4'-P energy: -90.918 bonds (distance) P-C4' energy: -80.844 flat angles C4'-P-C4' energy: -97.570 flat angles P-C4'-P energy: -58.271 tors. eta vs tors. theta energy: -119.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -944.256055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.256055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.256055 (E_RNA) where: Base-Base interactions energy: -588.173 where: short stacking energy: -274.135 Base-Backbone interact. energy: 0.920 local terms energy: -357.003114 where: bonds (distance) C4'-P energy: -80.226 bonds (distance) P-C4' energy: -84.242 flat angles C4'-P-C4' energy: -84.565 flat angles P-C4'-P energy: -46.722 tors. eta vs tors. theta energy: -61.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -855.772621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.772621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.772621 (E_RNA) where: Base-Base interactions energy: -510.203 where: short stacking energy: -270.877 Base-Backbone interact. energy: -1.486 local terms energy: -344.082819 where: bonds (distance) C4'-P energy: -68.992 bonds (distance) P-C4' energy: -82.673 flat angles C4'-P-C4' energy: -89.351 flat angles P-C4'-P energy: -55.881 tors. eta vs tors. theta energy: -47.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -553.025949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.025949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.025949 (E_RNA) where: Base-Base interactions energy: -286.117 where: short stacking energy: -181.679 Base-Backbone interact. energy: -0.028 local terms energy: -266.880832 where: bonds (distance) C4'-P energy: -58.226 bonds (distance) P-C4' energy: -68.703 flat angles C4'-P-C4' energy: -76.762 flat angles P-C4'-P energy: -49.546 tors. eta vs tors. theta energy: -13.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -367.734861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.734861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.734861 (E_RNA) where: Base-Base interactions energy: -115.545 where: short stacking energy: -87.372 Base-Backbone interact. energy: 0.265 local terms energy: -252.454834 where: bonds (distance) C4'-P energy: -81.998 bonds (distance) P-C4' energy: -80.794 flat angles C4'-P-C4' energy: -52.739 flat angles P-C4'-P energy: -56.005 tors. eta vs tors. theta energy: 19.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1716.633561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.633561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.633561 (E_RNA) where: Base-Base interactions energy: -1190.130 where: short stacking energy: -507.046 Base-Backbone interact. energy: -0.553 local terms energy: -525.949849 where: bonds (distance) C4'-P energy: -84.363 bonds (distance) P-C4' energy: -103.550 flat angles C4'-P-C4' energy: -105.996 flat angles P-C4'-P energy: -75.242 tors. eta vs tors. theta energy: -156.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1574.917433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.917433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.917433 (E_RNA) where: Base-Base interactions energy: -1078.752 where: short stacking energy: -464.663 Base-Backbone interact. energy: -1.147 local terms energy: -495.018188 where: bonds (distance) C4'-P energy: -97.507 bonds (distance) P-C4' energy: -97.084 flat angles C4'-P-C4' energy: -97.363 flat angles P-C4'-P energy: -64.496 tors. eta vs tors. theta energy: -138.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1522.161443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.161443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.161443 (E_RNA) where: Base-Base interactions energy: -1043.155 where: short stacking energy: -455.877 Base-Backbone interact. energy: -0.793 local terms energy: -478.213772 where: bonds (distance) C4'-P energy: -87.650 bonds (distance) P-C4' energy: -85.530 flat angles C4'-P-C4' energy: -106.019 flat angles P-C4'-P energy: -66.046 tors. eta vs tors. theta energy: -132.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1432.859872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.859872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.859872 (E_RNA) where: Base-Base interactions energy: -994.256 where: short stacking energy: -432.551 Base-Backbone interact. energy: -2.093 local terms energy: -436.511195 where: bonds (distance) C4'-P energy: -79.610 bonds (distance) P-C4' energy: -77.359 flat angles C4'-P-C4' energy: -97.302 flat angles P-C4'-P energy: -57.002 tors. eta vs tors. theta energy: -125.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -1344.039600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.039600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.039600 (E_RNA) where: Base-Base interactions energy: -888.017 where: short stacking energy: -398.641 Base-Backbone interact. energy: -4.276 local terms energy: -451.746878 where: bonds (distance) C4'-P energy: -83.334 bonds (distance) P-C4' energy: -88.436 flat angles C4'-P-C4' energy: -102.892 flat angles P-C4'-P energy: -70.795 tors. eta vs tors. theta energy: -106.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1272.402842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.402842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.402842 (E_RNA) where: Base-Base interactions energy: -849.160 where: short stacking energy: -373.328 Base-Backbone interact. energy: -2.194 local terms energy: -421.049488 where: bonds (distance) C4'-P energy: -78.292 bonds (distance) P-C4' energy: -86.104 flat angles C4'-P-C4' energy: -85.563 flat angles P-C4'-P energy: -67.484 tors. eta vs tors. theta energy: -103.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -921.077432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.077432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.077432 (E_RNA) where: Base-Base interactions energy: -563.381 where: short stacking energy: -280.202 Base-Backbone interact. energy: -1.486 local terms energy: -356.210051 where: bonds (distance) C4'-P energy: -77.578 bonds (distance) P-C4' energy: -76.800 flat angles C4'-P-C4' energy: -88.306 flat angles P-C4'-P energy: -57.852 tors. eta vs tors. theta energy: -55.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -891.575117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.575117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.575117 (E_RNA) where: Base-Base interactions energy: -549.858 where: short stacking energy: -262.132 Base-Backbone interact. energy: 2.868 local terms energy: -344.585687 where: bonds (distance) C4'-P energy: -90.693 bonds (distance) P-C4' energy: -87.098 flat angles C4'-P-C4' energy: -70.472 flat angles P-C4'-P energy: -50.357 tors. eta vs tors. theta energy: -45.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -627.693652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.693652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.693652 (E_RNA) where: Base-Base interactions energy: -340.225 where: short stacking energy: -198.947 Base-Backbone interact. energy: 2.212 local terms energy: -289.680162 where: bonds (distance) C4'-P energy: -74.877 bonds (distance) P-C4' energy: -84.911 flat angles C4'-P-C4' energy: -76.340 flat angles P-C4'-P energy: -31.329 tors. eta vs tors. theta energy: -22.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -391.131986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.131986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.131986 (E_RNA) where: Base-Base interactions energy: -159.589 where: short stacking energy: -128.674 Base-Backbone interact. energy: 2.832 local terms energy: -234.374207 where: bonds (distance) C4'-P energy: -69.472 bonds (distance) P-C4' energy: -73.135 flat angles C4'-P-C4' energy: -59.949 flat angles P-C4'-P energy: -45.271 tors. eta vs tors. theta energy: 13.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1702.181543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.181543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.181543 (E_RNA) where: Base-Base interactions energy: -1186.899 where: short stacking energy: -517.200 Base-Backbone interact. energy: 0.071 local terms energy: -515.353226 where: bonds (distance) C4'-P energy: -92.016 bonds (distance) P-C4' energy: -88.191 flat angles C4'-P-C4' energy: -103.340 flat angles P-C4'-P energy: -66.505 tors. eta vs tors. theta energy: -165.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1551.357974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.357974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.357974 (E_RNA) where: Base-Base interactions energy: -1068.381 where: short stacking energy: -469.097 Base-Backbone interact. energy: -3.292 local terms energy: -479.685220 where: bonds (distance) C4'-P energy: -88.472 bonds (distance) P-C4' energy: -87.981 flat angles C4'-P-C4' energy: -93.030 flat angles P-C4'-P energy: -69.862 tors. eta vs tors. theta energy: -140.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1511.033315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.033315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.033315 (E_RNA) where: Base-Base interactions energy: -1017.459 where: short stacking energy: -462.414 Base-Backbone interact. energy: -4.470 local terms energy: -489.104388 where: bonds (distance) C4'-P energy: -96.773 bonds (distance) P-C4' energy: -83.173 flat angles C4'-P-C4' energy: -107.203 flat angles P-C4'-P energy: -64.684 tors. eta vs tors. theta energy: -137.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1437.882898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.882898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.882898 (E_RNA) where: Base-Base interactions energy: -977.690 where: short stacking energy: -425.048 Base-Backbone interact. energy: -1.524 local terms energy: -458.669669 where: bonds (distance) C4'-P energy: -94.110 bonds (distance) P-C4' energy: -86.995 flat angles C4'-P-C4' energy: -95.965 flat angles P-C4'-P energy: -63.378 tors. eta vs tors. theta energy: -118.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1300.429181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.429181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.429181 (E_RNA) where: Base-Base interactions energy: -854.392 where: short stacking energy: -383.816 Base-Backbone interact. energy: -3.552 local terms energy: -442.484588 where: bonds (distance) C4'-P energy: -74.604 bonds (distance) P-C4' energy: -91.759 flat angles C4'-P-C4' energy: -95.555 flat angles P-C4'-P energy: -53.968 tors. eta vs tors. theta energy: -126.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1242.214014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.214014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.214014 (E_RNA) where: Base-Base interactions energy: -822.744 where: short stacking energy: -370.294 Base-Backbone interact. energy: -1.204 local terms energy: -418.265716 where: bonds (distance) C4'-P energy: -86.670 bonds (distance) P-C4' energy: -73.830 flat angles C4'-P-C4' energy: -96.644 flat angles P-C4'-P energy: -55.832 tors. eta vs tors. theta energy: -105.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -912.420015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.420015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.420015 (E_RNA) where: Base-Base interactions energy: -566.582 where: short stacking energy: -273.912 Base-Backbone interact. energy: -2.124 local terms energy: -343.713574 where: bonds (distance) C4'-P energy: -83.039 bonds (distance) P-C4' energy: -75.890 flat angles C4'-P-C4' energy: -92.548 flat angles P-C4'-P energy: -45.239 tors. eta vs tors. theta energy: -46.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -904.528040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.528040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.528040 (E_RNA) where: Base-Base interactions energy: -558.415 where: short stacking energy: -273.818 Base-Backbone interact. energy: -1.489 local terms energy: -344.623796 where: bonds (distance) C4'-P energy: -74.945 bonds (distance) P-C4' energy: -86.965 flat angles C4'-P-C4' energy: -76.546 flat angles P-C4'-P energy: -57.797 tors. eta vs tors. theta energy: -48.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -584.462840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.462840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.462840 (E_RNA) where: Base-Base interactions energy: -312.979 where: short stacking energy: -171.977 Base-Backbone interact. energy: -1.827 local terms energy: -269.656683 where: bonds (distance) C4'-P energy: -68.482 bonds (distance) P-C4' energy: -92.830 flat angles C4'-P-C4' energy: -63.946 flat angles P-C4'-P energy: -38.373 tors. eta vs tors. theta energy: -6.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -397.434561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.434561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.434561 (E_RNA) where: Base-Base interactions energy: -121.898 where: short stacking energy: -103.359 Base-Backbone interact. energy: -1.622 local terms energy: -273.914418 where: bonds (distance) C4'-P energy: -81.137 bonds (distance) P-C4' energy: -78.436 flat angles C4'-P-C4' energy: -74.502 flat angles P-C4'-P energy: -44.500 tors. eta vs tors. theta energy: 4.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1723.253215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.253215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.253215 (E_RNA) where: Base-Base interactions energy: -1189.252 where: short stacking energy: -532.787 Base-Backbone interact. energy: 0.446 local terms energy: -534.447524 where: bonds (distance) C4'-P energy: -103.560 bonds (distance) P-C4' energy: -84.928 flat angles C4'-P-C4' energy: -105.436 flat angles P-C4'-P energy: -76.837 tors. eta vs tors. theta energy: -163.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1549.634847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.634847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.634847 (E_RNA) where: Base-Base interactions energy: -1067.218 where: short stacking energy: -481.701 Base-Backbone interact. energy: -2.718 local terms energy: -479.698916 where: bonds (distance) C4'-P energy: -102.816 bonds (distance) P-C4' energy: -85.506 flat angles C4'-P-C4' energy: -102.996 flat angles P-C4'-P energy: -47.710 tors. eta vs tors. theta energy: -140.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1500.177846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.177846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.177846 (E_RNA) where: Base-Base interactions energy: -994.261 where: short stacking energy: -440.225 Base-Backbone interact. energy: -1.517 local terms energy: -504.399412 where: bonds (distance) C4'-P energy: -95.123 bonds (distance) P-C4' energy: -95.234 flat angles C4'-P-C4' energy: -109.347 flat angles P-C4'-P energy: -66.844 tors. eta vs tors. theta energy: -137.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1429.101609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.101609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.101609 (E_RNA) where: Base-Base interactions energy: -972.730 where: short stacking energy: -414.818 Base-Backbone interact. energy: -2.592 local terms energy: -453.780204 where: bonds (distance) C4'-P energy: -81.428 bonds (distance) P-C4' energy: -92.514 flat angles C4'-P-C4' energy: -101.365 flat angles P-C4'-P energy: -65.004 tors. eta vs tors. theta energy: -113.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1301.985499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.985499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.985499 (E_RNA) where: Base-Base interactions energy: -848.915 where: short stacking energy: -384.080 Base-Backbone interact. energy: -2.820 local terms energy: -450.250331 where: bonds (distance) C4'-P energy: -70.900 bonds (distance) P-C4' energy: -86.655 flat angles C4'-P-C4' energy: -104.594 flat angles P-C4'-P energy: -71.772 tors. eta vs tors. theta energy: -116.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -1258.380694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.380694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.380694 (E_RNA) where: Base-Base interactions energy: -831.907 where: short stacking energy: -381.062 Base-Backbone interact. energy: -0.223 local terms energy: -426.250085 where: bonds (distance) C4'-P energy: -73.595 bonds (distance) P-C4' energy: -90.978 flat angles C4'-P-C4' energy: -104.396 flat angles P-C4'-P energy: -53.590 tors. eta vs tors. theta energy: -103.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -881.131595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.131595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.131595 (E_RNA) where: Base-Base interactions energy: -518.236 where: short stacking energy: -274.197 Base-Backbone interact. energy: -2.969 local terms energy: -359.925864 where: bonds (distance) C4'-P energy: -81.357 bonds (distance) P-C4' energy: -82.020 flat angles C4'-P-C4' energy: -87.383 flat angles P-C4'-P energy: -59.012 tors. eta vs tors. theta energy: -50.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -922.308085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.308085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.308085 (E_RNA) where: Base-Base interactions energy: -575.241 where: short stacking energy: -269.909 Base-Backbone interact. energy: -1.715 local terms energy: -345.352904 where: bonds (distance) C4'-P energy: -64.642 bonds (distance) P-C4' energy: -96.119 flat angles C4'-P-C4' energy: -80.876 flat angles P-C4'-P energy: -48.463 tors. eta vs tors. theta energy: -55.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -591.323657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.323657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.323657 (E_RNA) where: Base-Base interactions energy: -304.516 where: short stacking energy: -168.673 Base-Backbone interact. energy: -1.974 local terms energy: -284.833994 where: bonds (distance) C4'-P energy: -70.395 bonds (distance) P-C4' energy: -71.424 flat angles C4'-P-C4' energy: -84.033 flat angles P-C4'-P energy: -47.946 tors. eta vs tors. theta energy: -11.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -368.400697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.400697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.400697 (E_RNA) where: Base-Base interactions energy: -123.158 where: short stacking energy: -107.834 Base-Backbone interact. energy: 4.398 local terms energy: -249.640562 where: bonds (distance) C4'-P energy: -77.404 bonds (distance) P-C4' energy: -92.561 flat angles C4'-P-C4' energy: -57.065 flat angles P-C4'-P energy: -27.668 tors. eta vs tors. theta energy: 5.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1711.417139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.417139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.417139 (E_RNA) where: Base-Base interactions energy: -1156.985 where: short stacking energy: -530.369 Base-Backbone interact. energy: -2.185 local terms energy: -552.246500 where: bonds (distance) C4'-P energy: -102.941 bonds (distance) P-C4' energy: -98.881 flat angles C4'-P-C4' energy: -116.393 flat angles P-C4'-P energy: -68.883 tors. eta vs tors. theta energy: -165.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1554.488396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.488396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.488396 (E_RNA) where: Base-Base interactions energy: -1043.201 where: short stacking energy: -459.522 Base-Backbone interact. energy: -4.632 local terms energy: -506.654967 where: bonds (distance) C4'-P energy: -92.848 bonds (distance) P-C4' energy: -89.031 flat angles C4'-P-C4' energy: -110.891 flat angles P-C4'-P energy: -72.852 tors. eta vs tors. theta energy: -141.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1528.173124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.173124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.173124 (E_RNA) where: Base-Base interactions energy: -1073.626 where: short stacking energy: -449.253 Base-Backbone interact. energy: -1.710 local terms energy: -452.836981 where: bonds (distance) C4'-P energy: -82.578 bonds (distance) P-C4' energy: -83.988 flat angles C4'-P-C4' energy: -97.264 flat angles P-C4'-P energy: -57.270 tors. eta vs tors. theta energy: -131.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1458.000469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.000469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.000469 (E_RNA) where: Base-Base interactions energy: -990.668 where: short stacking energy: -429.030 Base-Backbone interact. energy: -4.888 local terms energy: -462.444060 where: bonds (distance) C4'-P energy: -85.974 bonds (distance) P-C4' energy: -83.662 flat angles C4'-P-C4' energy: -104.385 flat angles P-C4'-P energy: -63.243 tors. eta vs tors. theta energy: -125.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1265.305424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.305424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.305424 (E_RNA) where: Base-Base interactions energy: -818.795 where: short stacking energy: -371.168 Base-Backbone interact. energy: -2.167 local terms energy: -444.342681 where: bonds (distance) C4'-P energy: -89.493 bonds (distance) P-C4' energy: -82.627 flat angles C4'-P-C4' energy: -101.483 flat angles P-C4'-P energy: -55.577 tors. eta vs tors. theta energy: -115.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1281.568928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.568928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.568928 (E_RNA) where: Base-Base interactions energy: -885.833 where: short stacking energy: -377.771 Base-Backbone interact. energy: 0.603 local terms energy: -396.338640 where: bonds (distance) C4'-P energy: -78.182 bonds (distance) P-C4' energy: -55.502 flat angles C4'-P-C4' energy: -95.800 flat angles P-C4'-P energy: -53.149 tors. eta vs tors. theta energy: -113.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -857.036230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.036230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.036230 (E_RNA) where: Base-Base interactions energy: -501.240 where: short stacking energy: -279.465 Base-Backbone interact. energy: -1.038 local terms energy: -354.757909 where: bonds (distance) C4'-P energy: -92.812 bonds (distance) P-C4' energy: -84.921 flat angles C4'-P-C4' energy: -74.262 flat angles P-C4'-P energy: -45.833 tors. eta vs tors. theta energy: -56.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -892.707920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.707920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.707920 (E_RNA) where: Base-Base interactions energy: -537.345 where: short stacking energy: -254.565 Base-Backbone interact. energy: 0.326 local terms energy: -355.688527 where: bonds (distance) C4'-P energy: -80.583 bonds (distance) P-C4' energy: -81.411 flat angles C4'-P-C4' energy: -81.899 flat angles P-C4'-P energy: -53.122 tors. eta vs tors. theta energy: -58.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -619.575986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.575986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.575986 (E_RNA) where: Base-Base interactions energy: -346.349 where: short stacking energy: -188.478 Base-Backbone interact. energy: -0.181 local terms energy: -273.045291 where: bonds (distance) C4'-P energy: -63.923 bonds (distance) P-C4' energy: -76.274 flat angles C4'-P-C4' energy: -67.691 flat angles P-C4'-P energy: -45.236 tors. eta vs tors. theta energy: -19.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -379.419296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.419296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.419296 (E_RNA) where: Base-Base interactions energy: -133.647 where: short stacking energy: -123.572 Base-Backbone interact. energy: 3.586 local terms energy: -249.358147 where: bonds (distance) C4'-P energy: -79.879 bonds (distance) P-C4' energy: -79.511 flat angles C4'-P-C4' energy: -58.841 flat angles P-C4'-P energy: -48.260 tors. eta vs tors. theta energy: 17.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1702.418797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.418797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.418797 (E_RNA) where: Base-Base interactions energy: -1156.174 where: short stacking energy: -504.389 Base-Backbone interact. energy: -0.951 local terms energy: -545.293455 where: bonds (distance) C4'-P energy: -102.765 bonds (distance) P-C4' energy: -90.072 flat angles C4'-P-C4' energy: -109.418 flat angles P-C4'-P energy: -87.859 tors. eta vs tors. theta energy: -155.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1560.492411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.492411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.492411 (E_RNA) where: Base-Base interactions energy: -1082.549 where: short stacking energy: -479.117 Base-Backbone interact. energy: -0.188 local terms energy: -477.755066 where: bonds (distance) C4'-P energy: -83.309 bonds (distance) P-C4' energy: -93.238 flat angles C4'-P-C4' energy: -105.810 flat angles P-C4'-P energy: -64.676 tors. eta vs tors. theta energy: -130.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1548.123499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.123499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.123499 (E_RNA) where: Base-Base interactions energy: -1061.426 where: short stacking energy: -469.944 Base-Backbone interact. energy: -3.405 local terms energy: -483.293440 where: bonds (distance) C4'-P energy: -100.287 bonds (distance) P-C4' energy: -80.497 flat angles C4'-P-C4' energy: -96.959 flat angles P-C4'-P energy: -66.433 tors. eta vs tors. theta energy: -139.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1478.938872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.938872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.938872 (E_RNA) where: Base-Base interactions energy: -1028.569 where: short stacking energy: -457.741 Base-Backbone interact. energy: 1.501 local terms energy: -451.870636 where: bonds (distance) C4'-P energy: -75.164 bonds (distance) P-C4' energy: -87.353 flat angles C4'-P-C4' energy: -92.097 flat angles P-C4'-P energy: -66.850 tors. eta vs tors. theta energy: -130.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1301.667659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.667659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.667659 (E_RNA) where: Base-Base interactions energy: -863.302 where: short stacking energy: -399.306 Base-Backbone interact. energy: 0.101 local terms energy: -438.466608 where: bonds (distance) C4'-P energy: -86.737 bonds (distance) P-C4' energy: -83.251 flat angles C4'-P-C4' energy: -95.548 flat angles P-C4'-P energy: -58.361 tors. eta vs tors. theta energy: -114.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1303.681375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.681375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.681375 (E_RNA) where: Base-Base interactions energy: -890.449 where: short stacking energy: -404.139 Base-Backbone interact. energy: -2.814 local terms energy: -410.418502 where: bonds (distance) C4'-P energy: -93.915 bonds (distance) P-C4' energy: -78.478 flat angles C4'-P-C4' energy: -82.785 flat angles P-C4'-P energy: -49.664 tors. eta vs tors. theta energy: -105.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -883.532780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.532780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.532780 (E_RNA) where: Base-Base interactions energy: -532.675 where: short stacking energy: -274.936 Base-Backbone interact. energy: -0.786 local terms energy: -350.071466 where: bonds (distance) C4'-P energy: -59.703 bonds (distance) P-C4' energy: -96.538 flat angles C4'-P-C4' energy: -72.400 flat angles P-C4'-P energy: -60.432 tors. eta vs tors. theta energy: -60.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -886.325894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.325894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.325894 (E_RNA) where: Base-Base interactions energy: -558.112 where: short stacking energy: -277.465 Base-Backbone interact. energy: -1.189 local terms energy: -327.025134 where: bonds (distance) C4'-P energy: -70.179 bonds (distance) P-C4' energy: -69.615 flat angles C4'-P-C4' energy: -78.246 flat angles P-C4'-P energy: -52.492 tors. eta vs tors. theta energy: -56.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -668.280391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.280391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.280391 (E_RNA) where: Base-Base interactions energy: -400.654 where: short stacking energy: -196.067 Base-Backbone interact. energy: 2.248 local terms energy: -269.874796 where: bonds (distance) C4'-P energy: -72.048 bonds (distance) P-C4' energy: -76.444 flat angles C4'-P-C4' energy: -62.224 flat angles P-C4'-P energy: -31.142 tors. eta vs tors. theta energy: -28.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -401.622874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.622874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.622874 (E_RNA) where: Base-Base interactions energy: -150.744 where: short stacking energy: -100.836 Base-Backbone interact. energy: -1.793 local terms energy: -249.085448 where: bonds (distance) C4'-P energy: -66.433 bonds (distance) P-C4' energy: -69.583 flat angles C4'-P-C4' energy: -69.904 flat angles P-C4'-P energy: -46.429 tors. eta vs tors. theta energy: 3.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1697.401253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.401253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.401253 (E_RNA) where: Base-Base interactions energy: -1160.338 where: short stacking energy: -520.939 Base-Backbone interact. energy: -2.607 local terms energy: -534.456199 where: bonds (distance) C4'-P energy: -95.804 bonds (distance) P-C4' energy: -87.865 flat angles C4'-P-C4' energy: -110.472 flat angles P-C4'-P energy: -74.621 tors. eta vs tors. theta energy: -165.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1574.037848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.037848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.037848 (E_RNA) where: Base-Base interactions energy: -1090.014 where: short stacking energy: -477.578 Base-Backbone interact. energy: -2.731 local terms energy: -481.293397 where: bonds (distance) C4'-P energy: -90.149 bonds (distance) P-C4' energy: -94.971 flat angles C4'-P-C4' energy: -95.086 flat angles P-C4'-P energy: -59.942 tors. eta vs tors. theta energy: -141.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1569.671058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.671058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.671058 (E_RNA) where: Base-Base interactions energy: -1069.832 where: short stacking energy: -488.212 Base-Backbone interact. energy: -1.978 local terms energy: -497.861516 where: bonds (distance) C4'-P energy: -86.167 bonds (distance) P-C4' energy: -98.065 flat angles C4'-P-C4' energy: -102.895 flat angles P-C4'-P energy: -65.875 tors. eta vs tors. theta energy: -144.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1470.287241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.287241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.287241 (E_RNA) where: Base-Base interactions energy: -999.356 where: short stacking energy: -455.377 Base-Backbone interact. energy: 0.348 local terms energy: -471.279212 where: bonds (distance) C4'-P energy: -80.272 bonds (distance) P-C4' energy: -95.807 flat angles C4'-P-C4' energy: -101.281 flat angles P-C4'-P energy: -58.824 tors. eta vs tors. theta energy: -135.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1273.073465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.073465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.073465 (E_RNA) where: Base-Base interactions energy: -833.219 where: short stacking energy: -365.530 Base-Backbone interact. energy: -0.919 local terms energy: -438.935137 where: bonds (distance) C4'-P energy: -88.331 bonds (distance) P-C4' energy: -78.584 flat angles C4'-P-C4' energy: -107.920 flat angles P-C4'-P energy: -61.399 tors. eta vs tors. theta energy: -102.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1330.181623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.181623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.181623 (E_RNA) where: Base-Base interactions energy: -898.378 where: short stacking energy: -400.782 Base-Backbone interact. energy: -0.841 local terms energy: -430.962363 where: bonds (distance) C4'-P energy: -70.269 bonds (distance) P-C4' energy: -89.079 flat angles C4'-P-C4' energy: -88.499 flat angles P-C4'-P energy: -66.860 tors. eta vs tors. theta energy: -116.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -809.217789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.217789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.217789 (E_RNA) where: Base-Base interactions energy: -475.649 where: short stacking energy: -233.375 Base-Backbone interact. energy: -1.405 local terms energy: -332.164010 where: bonds (distance) C4'-P energy: -89.450 bonds (distance) P-C4' energy: -78.355 flat angles C4'-P-C4' energy: -86.531 flat angles P-C4'-P energy: -39.347 tors. eta vs tors. theta energy: -38.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -912.572131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.572131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.572131 (E_RNA) where: Base-Base interactions energy: -569.306 where: short stacking energy: -273.474 Base-Backbone interact. energy: -0.517 local terms energy: -342.749659 where: bonds (distance) C4'-P energy: -71.987 bonds (distance) P-C4' energy: -72.701 flat angles C4'-P-C4' energy: -87.489 flat angles P-C4'-P energy: -50.338 tors. eta vs tors. theta energy: -60.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -687.712662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.712662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.712662 (E_RNA) where: Base-Base interactions energy: -406.183 where: short stacking energy: -202.647 Base-Backbone interact. energy: -1.662 local terms energy: -279.867880 where: bonds (distance) C4'-P energy: -80.088 bonds (distance) P-C4' energy: -73.800 flat angles C4'-P-C4' energy: -81.847 flat angles P-C4'-P energy: -40.718 tors. eta vs tors. theta energy: -3.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -367.512775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.512775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.512775 (E_RNA) where: Base-Base interactions energy: -116.723 where: short stacking energy: -101.527 Base-Backbone interact. energy: 5.924 local terms energy: -256.713224 where: bonds (distance) C4'-P energy: -80.215 bonds (distance) P-C4' energy: -81.552 flat angles C4'-P-C4' energy: -73.746 flat angles P-C4'-P energy: -41.239 tors. eta vs tors. theta energy: 20.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1701.440989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.440989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.440989 (E_RNA) where: Base-Base interactions energy: -1160.512 where: short stacking energy: -509.751 Base-Backbone interact. energy: 1.028 local terms energy: -541.956210 where: bonds (distance) C4'-P energy: -101.689 bonds (distance) P-C4' energy: -93.376 flat angles C4'-P-C4' energy: -110.911 flat angles P-C4'-P energy: -71.326 tors. eta vs tors. theta energy: -164.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1561.707147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.707147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.707147 (E_RNA) where: Base-Base interactions energy: -1053.089 where: short stacking energy: -479.856 Base-Backbone interact. energy: -1.300 local terms energy: -507.318184 where: bonds (distance) C4'-P energy: -96.658 bonds (distance) P-C4' energy: -101.596 flat angles C4'-P-C4' energy: -100.230 flat angles P-C4'-P energy: -67.314 tors. eta vs tors. theta energy: -141.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1535.773261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.773261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.773261 (E_RNA) where: Base-Base interactions energy: -1056.233 where: short stacking energy: -449.076 Base-Backbone interact. energy: -0.785 local terms energy: -478.755381 where: bonds (distance) C4'-P energy: -77.869 bonds (distance) P-C4' energy: -94.744 flat angles C4'-P-C4' energy: -106.481 flat angles P-C4'-P energy: -67.073 tors. eta vs tors. theta energy: -132.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1492.962735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.962735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.962735 (E_RNA) where: Base-Base interactions energy: -1030.250 where: short stacking energy: -435.799 Base-Backbone interact. energy: -1.272 local terms energy: -461.440362 where: bonds (distance) C4'-P energy: -76.670 bonds (distance) P-C4' energy: -82.169 flat angles C4'-P-C4' energy: -103.667 flat angles P-C4'-P energy: -69.119 tors. eta vs tors. theta energy: -129.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1364.820578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.820578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.820578 (E_RNA) where: Base-Base interactions energy: -925.930 where: short stacking energy: -409.198 Base-Backbone interact. energy: -1.537 local terms energy: -437.352738 where: bonds (distance) C4'-P energy: -83.432 bonds (distance) P-C4' energy: -87.939 flat angles C4'-P-C4' energy: -78.155 flat angles P-C4'-P energy: -69.830 tors. eta vs tors. theta energy: -117.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1269.005912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.005912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.005912 (E_RNA) where: Base-Base interactions energy: -846.572 where: short stacking energy: -384.888 Base-Backbone interact. energy: -0.330 local terms energy: -422.103578 where: bonds (distance) C4'-P energy: -70.772 bonds (distance) P-C4' energy: -81.600 flat angles C4'-P-C4' energy: -94.953 flat angles P-C4'-P energy: -65.361 tors. eta vs tors. theta energy: -109.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -946.257070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.257070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.257070 (E_RNA) where: Base-Base interactions energy: -577.130 where: short stacking energy: -300.198 Base-Backbone interact. energy: -1.376 local terms energy: -367.751091 where: bonds (distance) C4'-P energy: -92.347 bonds (distance) P-C4' energy: -90.539 flat angles C4'-P-C4' energy: -84.459 flat angles P-C4'-P energy: -29.428 tors. eta vs tors. theta energy: -70.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -828.138367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.138367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.138367 (E_RNA) where: Base-Base interactions energy: -496.975 where: short stacking energy: -215.412 Base-Backbone interact. energy: -2.601 local terms energy: -328.561959 where: bonds (distance) C4'-P energy: -78.356 bonds (distance) P-C4' energy: -88.655 flat angles C4'-P-C4' energy: -80.659 flat angles P-C4'-P energy: -45.453 tors. eta vs tors. theta energy: -35.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -670.011899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.011899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.011899 (E_RNA) where: Base-Base interactions energy: -395.042 where: short stacking energy: -201.896 Base-Backbone interact. energy: -2.305 local terms energy: -272.664621 where: bonds (distance) C4'-P energy: -69.126 bonds (distance) P-C4' energy: -85.752 flat angles C4'-P-C4' energy: -78.816 flat angles P-C4'-P energy: -24.670 tors. eta vs tors. theta energy: -14.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -385.359808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.359808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.359808 (E_RNA) where: Base-Base interactions energy: -149.123 where: short stacking energy: -123.063 Base-Backbone interact. energy: -1.655 local terms energy: -234.582337 where: bonds (distance) C4'-P energy: -69.551 bonds (distance) P-C4' energy: -63.770 flat angles C4'-P-C4' energy: -83.071 flat angles P-C4'-P energy: -27.125 tors. eta vs tors. theta energy: 8.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1727.038475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.038475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.038475 (E_RNA) where: Base-Base interactions energy: -1185.468 where: short stacking energy: -517.351 Base-Backbone interact. energy: 0.247 local terms energy: -541.816941 where: bonds (distance) C4'-P energy: -97.689 bonds (distance) P-C4' energy: -91.563 flat angles C4'-P-C4' energy: -107.038 flat angles P-C4'-P energy: -78.015 tors. eta vs tors. theta energy: -167.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1561.837092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.837092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.837092 (E_RNA) where: Base-Base interactions energy: -1073.365 where: short stacking energy: -478.833 Base-Backbone interact. energy: -2.316 local terms energy: -486.156421 where: bonds (distance) C4'-P energy: -92.541 bonds (distance) P-C4' energy: -85.055 flat angles C4'-P-C4' energy: -103.481 flat angles P-C4'-P energy: -67.729 tors. eta vs tors. theta energy: -137.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1536.700209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.700209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.700209 (E_RNA) where: Base-Base interactions energy: -1067.737 where: short stacking energy: -454.112 Base-Backbone interact. energy: 0.783 local terms energy: -469.745978 where: bonds (distance) C4'-P energy: -80.064 bonds (distance) P-C4' energy: -80.535 flat angles C4'-P-C4' energy: -113.165 flat angles P-C4'-P energy: -72.139 tors. eta vs tors. theta energy: -123.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1448.640492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.640492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.640492 (E_RNA) where: Base-Base interactions energy: -1001.725 where: short stacking energy: -428.404 Base-Backbone interact. energy: -2.255 local terms energy: -444.660710 where: bonds (distance) C4'-P energy: -83.004 bonds (distance) P-C4' energy: -94.541 flat angles C4'-P-C4' energy: -89.566 flat angles P-C4'-P energy: -56.602 tors. eta vs tors. theta energy: -120.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1383.353801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.353801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.353801 (E_RNA) where: Base-Base interactions energy: -940.747 where: short stacking energy: -430.539 Base-Backbone interact. energy: -4.476 local terms energy: -438.130219 where: bonds (distance) C4'-P energy: -88.218 bonds (distance) P-C4' energy: -76.934 flat angles C4'-P-C4' energy: -93.841 flat angles P-C4'-P energy: -66.470 tors. eta vs tors. theta energy: -112.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1265.250270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.250270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.250270 (E_RNA) where: Base-Base interactions energy: -847.247 where: short stacking energy: -385.663 Base-Backbone interact. energy: -0.706 local terms energy: -417.297291 where: bonds (distance) C4'-P energy: -89.248 bonds (distance) P-C4' energy: -76.727 flat angles C4'-P-C4' energy: -85.765 flat angles P-C4'-P energy: -60.447 tors. eta vs tors. theta energy: -105.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -901.386396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.386396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.386396 (E_RNA) where: Base-Base interactions energy: -568.447 where: short stacking energy: -241.255 Base-Backbone interact. energy: -1.364 local terms energy: -331.575893 where: bonds (distance) C4'-P energy: -65.078 bonds (distance) P-C4' energy: -87.876 flat angles C4'-P-C4' energy: -87.260 flat angles P-C4'-P energy: -43.185 tors. eta vs tors. theta energy: -48.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -806.039772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.039772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.039772 (E_RNA) where: Base-Base interactions energy: -485.837 where: short stacking energy: -227.054 Base-Backbone interact. energy: -1.529 local terms energy: -318.673199 where: bonds (distance) C4'-P energy: -73.011 bonds (distance) P-C4' energy: -82.857 flat angles C4'-P-C4' energy: -79.855 flat angles P-C4'-P energy: -43.212 tors. eta vs tors. theta energy: -39.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -595.497076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.497076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.497076 (E_RNA) where: Base-Base interactions energy: -319.596 where: short stacking energy: -178.139 Base-Backbone interact. energy: -3.511 local terms energy: -272.390071 where: bonds (distance) C4'-P energy: -84.012 bonds (distance) P-C4' energy: -86.111 flat angles C4'-P-C4' energy: -69.808 flat angles P-C4'-P energy: -29.579 tors. eta vs tors. theta energy: -2.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -362.816895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.816895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.816895 (E_RNA) where: Base-Base interactions energy: -128.482 where: short stacking energy: -124.468 Base-Backbone interact. energy: 1.812 local terms energy: -236.147457 where: bonds (distance) C4'-P energy: -67.836 bonds (distance) P-C4' energy: -72.903 flat angles C4'-P-C4' energy: -74.982 flat angles P-C4'-P energy: -38.719 tors. eta vs tors. theta energy: 18.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1709.632292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.632292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.632292 (E_RNA) where: Base-Base interactions energy: -1176.507 where: short stacking energy: -504.553 Base-Backbone interact. energy: -1.164 local terms energy: -531.961397 where: bonds (distance) C4'-P energy: -84.248 bonds (distance) P-C4' energy: -95.205 flat angles C4'-P-C4' energy: -117.780 flat angles P-C4'-P energy: -73.003 tors. eta vs tors. theta energy: -161.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1565.345742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.345742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.345742 (E_RNA) where: Base-Base interactions energy: -1092.828 where: short stacking energy: -490.175 Base-Backbone interact. energy: 0.613 local terms energy: -473.130859 where: bonds (distance) C4'-P energy: -75.923 bonds (distance) P-C4' energy: -88.220 flat angles C4'-P-C4' energy: -94.186 flat angles P-C4'-P energy: -70.464 tors. eta vs tors. theta energy: -144.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1459.856505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.856505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.856505 (E_RNA) where: Base-Base interactions energy: -998.496 where: short stacking energy: -438.592 Base-Backbone interact. energy: -2.273 local terms energy: -459.087196 where: bonds (distance) C4'-P energy: -74.600 bonds (distance) P-C4' energy: -99.257 flat angles C4'-P-C4' energy: -96.658 flat angles P-C4'-P energy: -65.838 tors. eta vs tors. theta energy: -122.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1503.348206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.348206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.348206 (E_RNA) where: Base-Base interactions energy: -1046.229 where: short stacking energy: -445.684 Base-Backbone interact. energy: -1.919 local terms energy: -455.200378 where: bonds (distance) C4'-P energy: -82.913 bonds (distance) P-C4' energy: -91.226 flat angles C4'-P-C4' energy: -100.864 flat angles P-C4'-P energy: -56.545 tors. eta vs tors. theta energy: -123.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1391.480286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.480286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.480286 (E_RNA) where: Base-Base interactions energy: -943.677 where: short stacking energy: -430.395 Base-Backbone interact. energy: -0.738 local terms energy: -447.065353 where: bonds (distance) C4'-P energy: -87.047 bonds (distance) P-C4' energy: -82.286 flat angles C4'-P-C4' energy: -93.116 flat angles P-C4'-P energy: -60.398 tors. eta vs tors. theta energy: -124.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1282.219565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.219565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.219565 (E_RNA) where: Base-Base interactions energy: -864.796 where: short stacking energy: -396.469 Base-Backbone interact. energy: -1.017 local terms energy: -416.407157 where: bonds (distance) C4'-P energy: -76.433 bonds (distance) P-C4' energy: -77.113 flat angles C4'-P-C4' energy: -99.375 flat angles P-C4'-P energy: -59.379 tors. eta vs tors. theta energy: -104.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -912.206755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.206755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.206755 (E_RNA) where: Base-Base interactions energy: -576.029 where: short stacking energy: -282.853 Base-Backbone interact. energy: -2.171 local terms energy: -334.006521 where: bonds (distance) C4'-P energy: -63.984 bonds (distance) P-C4' energy: -74.907 flat angles C4'-P-C4' energy: -80.367 flat angles P-C4'-P energy: -58.221 tors. eta vs tors. theta energy: -56.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -831.225199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.225199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.225199 (E_RNA) where: Base-Base interactions energy: -501.540 where: short stacking energy: -233.037 Base-Backbone interact. energy: -2.110 local terms energy: -327.574800 where: bonds (distance) C4'-P energy: -70.168 bonds (distance) P-C4' energy: -80.671 flat angles C4'-P-C4' energy: -77.703 flat angles P-C4'-P energy: -47.799 tors. eta vs tors. theta energy: -51.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -590.164165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.164165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.164165 (E_RNA) where: Base-Base interactions energy: -307.669 where: short stacking energy: -162.858 Base-Backbone interact. energy: 0.775 local terms energy: -283.270389 where: bonds (distance) C4'-P energy: -68.379 bonds (distance) P-C4' energy: -81.031 flat angles C4'-P-C4' energy: -73.500 flat angles P-C4'-P energy: -50.747 tors. eta vs tors. theta energy: -9.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -364.806382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.806382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.806382 (E_RNA) where: Base-Base interactions energy: -141.562 where: short stacking energy: -116.793 Base-Backbone interact. energy: 0.972 local terms energy: -224.216727 where: bonds (distance) C4'-P energy: -69.925 bonds (distance) P-C4' energy: -86.165 flat angles C4'-P-C4' energy: -56.508 flat angles P-C4'-P energy: -32.863 tors. eta vs tors. theta energy: 21.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1727.508406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.508406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.508406 (E_RNA) where: Base-Base interactions energy: -1188.309 where: short stacking energy: -519.704 Base-Backbone interact. energy: -0.659 local terms energy: -538.540895 where: bonds (distance) C4'-P energy: -90.074 bonds (distance) P-C4' energy: -93.739 flat angles C4'-P-C4' energy: -110.690 flat angles P-C4'-P energy: -86.041 tors. eta vs tors. theta energy: -157.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1558.647700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.647700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.647700 (E_RNA) where: Base-Base interactions energy: -1054.430 where: short stacking energy: -465.637 Base-Backbone interact. energy: -3.598 local terms energy: -500.619321 where: bonds (distance) C4'-P energy: -95.887 bonds (distance) P-C4' energy: -91.704 flat angles C4'-P-C4' energy: -104.662 flat angles P-C4'-P energy: -62.372 tors. eta vs tors. theta energy: -145.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1484.064736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.064736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.064736 (E_RNA) where: Base-Base interactions energy: -1023.244 where: short stacking energy: -448.772 Base-Backbone interact. energy: -3.824 local terms energy: -456.996694 where: bonds (distance) C4'-P energy: -91.032 bonds (distance) P-C4' energy: -77.819 flat angles C4'-P-C4' energy: -102.732 flat angles P-C4'-P energy: -67.184 tors. eta vs tors. theta energy: -118.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1497.625837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.625837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.625837 (E_RNA) where: Base-Base interactions energy: -1030.846 where: short stacking energy: -450.867 Base-Backbone interact. energy: -1.536 local terms energy: -465.244233 where: bonds (distance) C4'-P energy: -89.785 bonds (distance) P-C4' energy: -87.385 flat angles C4'-P-C4' energy: -95.563 flat angles P-C4'-P energy: -70.761 tors. eta vs tors. theta energy: -121.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1368.007167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.007167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.007167 (E_RNA) where: Base-Base interactions energy: -934.050 where: short stacking energy: -413.612 Base-Backbone interact. energy: -0.494 local terms energy: -433.463185 where: bonds (distance) C4'-P energy: -85.589 bonds (distance) P-C4' energy: -79.929 flat angles C4'-P-C4' energy: -90.516 flat angles P-C4'-P energy: -64.227 tors. eta vs tors. theta energy: -113.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1283.750936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.750936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.750936 (E_RNA) where: Base-Base interactions energy: -861.551 where: short stacking energy: -385.866 Base-Backbone interact. energy: -1.007 local terms energy: -421.192367 where: bonds (distance) C4'-P energy: -82.521 bonds (distance) P-C4' energy: -82.946 flat angles C4'-P-C4' energy: -95.378 flat angles P-C4'-P energy: -49.112 tors. eta vs tors. theta energy: -111.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -923.342918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.342918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.342918 (E_RNA) where: Base-Base interactions energy: -562.148 where: short stacking energy: -273.947 Base-Backbone interact. energy: -1.557 local terms energy: -359.637216 where: bonds (distance) C4'-P energy: -74.345 bonds (distance) P-C4' energy: -92.060 flat angles C4'-P-C4' energy: -86.800 flat angles P-C4'-P energy: -57.527 tors. eta vs tors. theta energy: -48.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -876.547181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.547181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.547181 (E_RNA) where: Base-Base interactions energy: -541.072 where: short stacking energy: -257.807 Base-Backbone interact. energy: -0.882 local terms energy: -334.593285 where: bonds (distance) C4'-P energy: -84.354 bonds (distance) P-C4' energy: -89.491 flat angles C4'-P-C4' energy: -64.729 flat angles P-C4'-P energy: -43.818 tors. eta vs tors. theta energy: -52.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -515.471801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.471801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.471801 (E_RNA) where: Base-Base interactions energy: -245.854 where: short stacking energy: -166.531 Base-Backbone interact. energy: 1.828 local terms energy: -271.446261 where: bonds (distance) C4'-P energy: -67.258 bonds (distance) P-C4' energy: -69.130 flat angles C4'-P-C4' energy: -78.734 flat angles P-C4'-P energy: -43.338 tors. eta vs tors. theta energy: -12.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -362.938016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.938016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.938016 (E_RNA) where: Base-Base interactions energy: -152.327 where: short stacking energy: -111.898 Base-Backbone interact. energy: 0.690 local terms energy: -211.300890 where: bonds (distance) C4'-P energy: -66.425 bonds (distance) P-C4' energy: -54.534 flat angles C4'-P-C4' energy: -74.279 flat angles P-C4'-P energy: -35.996 tors. eta vs tors. theta energy: 19.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1730.007234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.007234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.007234 (E_RNA) where: Base-Base interactions energy: -1187.576 where: short stacking energy: -514.224 Base-Backbone interact. energy: -1.055 local terms energy: -541.377071 where: bonds (distance) C4'-P energy: -93.771 bonds (distance) P-C4' energy: -102.035 flat angles C4'-P-C4' energy: -108.828 flat angles P-C4'-P energy: -74.852 tors. eta vs tors. theta energy: -161.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1566.641498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.641498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.641498 (E_RNA) where: Base-Base interactions energy: -1086.195 where: short stacking energy: -461.605 Base-Backbone interact. energy: -1.787 local terms energy: -478.659237 where: bonds (distance) C4'-P energy: -85.303 bonds (distance) P-C4' energy: -81.181 flat angles C4'-P-C4' energy: -100.262 flat angles P-C4'-P energy: -72.967 tors. eta vs tors. theta energy: -138.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1502.634213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.634213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.634213 (E_RNA) where: Base-Base interactions energy: -1017.140 where: short stacking energy: -434.032 Base-Backbone interact. energy: -2.274 local terms energy: -483.220360 where: bonds (distance) C4'-P energy: -92.951 bonds (distance) P-C4' energy: -96.262 flat angles C4'-P-C4' energy: -108.081 flat angles P-C4'-P energy: -58.300 tors. eta vs tors. theta energy: -127.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1435.783840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.783840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.783840 (E_RNA) where: Base-Base interactions energy: -959.539 where: short stacking energy: -433.262 Base-Backbone interact. energy: -0.140 local terms energy: -476.105437 where: bonds (distance) C4'-P energy: -92.917 bonds (distance) P-C4' energy: -84.579 flat angles C4'-P-C4' energy: -110.138 flat angles P-C4'-P energy: -71.611 tors. eta vs tors. theta energy: -116.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1331.072000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.072000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.072000 (E_RNA) where: Base-Base interactions energy: -903.272 where: short stacking energy: -396.753 Base-Backbone interact. energy: -0.189 local terms energy: -427.611306 where: bonds (distance) C4'-P energy: -81.283 bonds (distance) P-C4' energy: -92.787 flat angles C4'-P-C4' energy: -82.270 flat angles P-C4'-P energy: -59.302 tors. eta vs tors. theta energy: -111.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1311.230383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.230383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.230383 (E_RNA) where: Base-Base interactions energy: -872.852 where: short stacking energy: -386.476 Base-Backbone interact. energy: 1.681 local terms energy: -440.060061 where: bonds (distance) C4'-P energy: -78.594 bonds (distance) P-C4' energy: -91.256 flat angles C4'-P-C4' energy: -89.618 flat angles P-C4'-P energy: -63.975 tors. eta vs tors. theta energy: -116.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -913.437509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.437509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.437509 (E_RNA) where: Base-Base interactions energy: -598.057 where: short stacking energy: -274.283 Base-Backbone interact. energy: 5.508 local terms energy: -320.887953 where: bonds (distance) C4'-P energy: -76.252 bonds (distance) P-C4' energy: -64.819 flat angles C4'-P-C4' energy: -82.169 flat angles P-C4'-P energy: -44.762 tors. eta vs tors. theta energy: -52.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -821.674027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.674027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.674027 (E_RNA) where: Base-Base interactions energy: -469.358 where: short stacking energy: -236.515 Base-Backbone interact. energy: -1.707 local terms energy: -350.608726 where: bonds (distance) C4'-P energy: -74.050 bonds (distance) P-C4' energy: -82.675 flat angles C4'-P-C4' energy: -92.144 flat angles P-C4'-P energy: -61.346 tors. eta vs tors. theta energy: -40.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -614.287821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.287821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.287821 (E_RNA) where: Base-Base interactions energy: -315.391 where: short stacking energy: -189.486 Base-Backbone interact. energy: -2.232 local terms energy: -296.665309 where: bonds (distance) C4'-P energy: -74.254 bonds (distance) P-C4' energy: -87.268 flat angles C4'-P-C4' energy: -49.390 flat angles P-C4'-P energy: -54.150 tors. eta vs tors. theta energy: -31.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -362.057312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.057312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.057312 (E_RNA) where: Base-Base interactions energy: -92.106 where: short stacking energy: -83.900 Base-Backbone interact. energy: -1.274 local terms energy: -268.677763 where: bonds (distance) C4'-P energy: -75.195 bonds (distance) P-C4' energy: -91.373 flat angles C4'-P-C4' energy: -75.564 flat angles P-C4'-P energy: -47.748 tors. eta vs tors. theta energy: 21.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1713.148702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.148702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.148702 (E_RNA) where: Base-Base interactions energy: -1190.229 where: short stacking energy: -509.585 Base-Backbone interact. energy: 0.845 local terms energy: -523.764260 where: bonds (distance) C4'-P energy: -98.189 bonds (distance) P-C4' energy: -92.467 flat angles C4'-P-C4' energy: -97.541 flat angles P-C4'-P energy: -74.405 tors. eta vs tors. theta energy: -161.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1598.246521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.246521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.246521 (E_RNA) where: Base-Base interactions energy: -1095.334 where: short stacking energy: -495.896 Base-Backbone interact. energy: 0.091 local terms energy: -503.003604 where: bonds (distance) C4'-P energy: -90.480 bonds (distance) P-C4' energy: -95.421 flat angles C4'-P-C4' energy: -97.888 flat angles P-C4'-P energy: -76.116 tors. eta vs tors. theta energy: -143.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1519.878430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.878430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.878430 (E_RNA) where: Base-Base interactions energy: -1055.284 where: short stacking energy: -427.096 Base-Backbone interact. energy: -3.759 local terms energy: -460.835488 where: bonds (distance) C4'-P energy: -81.018 bonds (distance) P-C4' energy: -94.460 flat angles C4'-P-C4' energy: -94.019 flat angles P-C4'-P energy: -62.281 tors. eta vs tors. theta energy: -129.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1484.192083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.192083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.192083 (E_RNA) where: Base-Base interactions energy: -1009.531 where: short stacking energy: -434.794 Base-Backbone interact. energy: 0.363 local terms energy: -475.024076 where: bonds (distance) C4'-P energy: -88.966 bonds (distance) P-C4' energy: -86.406 flat angles C4'-P-C4' energy: -98.736 flat angles P-C4'-P energy: -69.530 tors. eta vs tors. theta energy: -131.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1332.612295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.612295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.612295 (E_RNA) where: Base-Base interactions energy: -893.944 where: short stacking energy: -406.176 Base-Backbone interact. energy: 1.212 local terms energy: -439.880947 where: bonds (distance) C4'-P energy: -81.928 bonds (distance) P-C4' energy: -77.930 flat angles C4'-P-C4' energy: -96.282 flat angles P-C4'-P energy: -65.828 tors. eta vs tors. theta energy: -117.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1297.037099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.037099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.037099 (E_RNA) where: Base-Base interactions energy: -872.285 where: short stacking energy: -369.749 Base-Backbone interact. energy: 5.718 local terms energy: -430.470702 where: bonds (distance) C4'-P energy: -95.825 bonds (distance) P-C4' energy: -70.797 flat angles C4'-P-C4' energy: -90.876 flat angles P-C4'-P energy: -71.665 tors. eta vs tors. theta energy: -101.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1015.859292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.859292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.859292 (E_RNA) where: Base-Base interactions energy: -640.692 where: short stacking energy: -284.489 Base-Backbone interact. energy: 3.188 local terms energy: -378.355129 where: bonds (distance) C4'-P energy: -86.803 bonds (distance) P-C4' energy: -83.476 flat angles C4'-P-C4' energy: -85.776 flat angles P-C4'-P energy: -55.280 tors. eta vs tors. theta energy: -67.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -865.720583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.720583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.720583 (E_RNA) where: Base-Base interactions energy: -519.045 where: short stacking energy: -268.004 Base-Backbone interact. energy: -2.797 local terms energy: -343.878704 where: bonds (distance) C4'-P energy: -69.342 bonds (distance) P-C4' energy: -79.404 flat angles C4'-P-C4' energy: -87.827 flat angles P-C4'-P energy: -49.129 tors. eta vs tors. theta energy: -58.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -573.578657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.578657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.578657 (E_RNA) where: Base-Base interactions energy: -279.729 where: short stacking energy: -165.738 Base-Backbone interact. energy: 2.877 local terms energy: -296.727435 where: bonds (distance) C4'-P energy: -76.192 bonds (distance) P-C4' energy: -74.081 flat angles C4'-P-C4' energy: -71.210 flat angles P-C4'-P energy: -62.900 tors. eta vs tors. theta energy: -12.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -396.261022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.261022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.261022 (E_RNA) where: Base-Base interactions energy: -149.313 where: short stacking energy: -135.288 Base-Backbone interact. energy: 2.578 local terms energy: -249.526393 where: bonds (distance) C4'-P energy: -77.703 bonds (distance) P-C4' energy: -71.112 flat angles C4'-P-C4' energy: -77.536 flat angles P-C4'-P energy: -20.878 tors. eta vs tors. theta energy: -2.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1706.219864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.219864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.219864 (E_RNA) where: Base-Base interactions energy: -1163.335 where: short stacking energy: -490.639 Base-Backbone interact. energy: -0.581 local terms energy: -542.303638 where: bonds (distance) C4'-P energy: -97.720 bonds (distance) P-C4' energy: -90.738 flat angles C4'-P-C4' energy: -122.010 flat angles P-C4'-P energy: -72.349 tors. eta vs tors. theta energy: -159.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1592.963942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.963942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.963942 (E_RNA) where: Base-Base interactions energy: -1086.801 where: short stacking energy: -480.360 Base-Backbone interact. energy: 0.306 local terms energy: -506.468122 where: bonds (distance) C4'-P energy: -103.925 bonds (distance) P-C4' energy: -104.732 flat angles C4'-P-C4' energy: -95.044 flat angles P-C4'-P energy: -70.092 tors. eta vs tors. theta energy: -132.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1510.922898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.922898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.922898 (E_RNA) where: Base-Base interactions energy: -1035.791 where: short stacking energy: -437.842 Base-Backbone interact. energy: -3.379 local terms energy: -471.752911 where: bonds (distance) C4'-P energy: -70.948 bonds (distance) P-C4' energy: -93.208 flat angles C4'-P-C4' energy: -102.385 flat angles P-C4'-P energy: -78.311 tors. eta vs tors. theta energy: -126.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1460.221737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.221737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.221737 (E_RNA) where: Base-Base interactions energy: -1003.802 where: short stacking energy: -434.164 Base-Backbone interact. energy: -0.346 local terms energy: -456.073558 where: bonds (distance) C4'-P energy: -82.940 bonds (distance) P-C4' energy: -92.638 flat angles C4'-P-C4' energy: -91.134 flat angles P-C4'-P energy: -61.216 tors. eta vs tors. theta energy: -128.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1340.117443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.117443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.117443 (E_RNA) where: Base-Base interactions energy: -876.231 where: short stacking energy: -396.152 Base-Backbone interact. energy: -1.784 local terms energy: -462.102689 where: bonds (distance) C4'-P energy: -84.874 bonds (distance) P-C4' energy: -84.992 flat angles C4'-P-C4' energy: -107.268 flat angles P-C4'-P energy: -66.036 tors. eta vs tors. theta energy: -118.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1303.893714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.893714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.893714 (E_RNA) where: Base-Base interactions energy: -879.259 where: short stacking energy: -402.261 Base-Backbone interact. energy: -1.469 local terms energy: -423.165666 where: bonds (distance) C4'-P energy: -80.253 bonds (distance) P-C4' energy: -81.061 flat angles C4'-P-C4' energy: -81.866 flat angles P-C4'-P energy: -67.408 tors. eta vs tors. theta energy: -112.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1088.140029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.140029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.140029 (E_RNA) where: Base-Base interactions energy: -720.423 where: short stacking energy: -324.810 Base-Backbone interact. energy: 1.656 local terms energy: -369.373686 where: bonds (distance) C4'-P energy: -85.144 bonds (distance) P-C4' energy: -70.977 flat angles C4'-P-C4' energy: -87.497 flat angles P-C4'-P energy: -47.020 tors. eta vs tors. theta energy: -78.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -895.904701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.904701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.904701 (E_RNA) where: Base-Base interactions energy: -572.578 where: short stacking energy: -266.687 Base-Backbone interact. energy: -0.393 local terms energy: -322.933570 where: bonds (distance) C4'-P energy: -71.091 bonds (distance) P-C4' energy: -82.729 flat angles C4'-P-C4' energy: -84.008 flat angles P-C4'-P energy: -32.684 tors. eta vs tors. theta energy: -52.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -534.237396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.237396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.237396 (E_RNA) where: Base-Base interactions energy: -252.442 where: short stacking energy: -149.959 Base-Backbone interact. energy: 0.083 local terms energy: -281.877751 where: bonds (distance) C4'-P energy: -69.317 bonds (distance) P-C4' energy: -79.946 flat angles C4'-P-C4' energy: -74.052 flat angles P-C4'-P energy: -43.821 tors. eta vs tors. theta energy: -14.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -362.115980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.115980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.115980 (E_RNA) where: Base-Base interactions energy: -123.969 where: short stacking energy: -98.763 Base-Backbone interact. energy: 0.601 local terms energy: -238.747586 where: bonds (distance) C4'-P energy: -65.235 bonds (distance) P-C4' energy: -84.842 flat angles C4'-P-C4' energy: -72.851 flat angles P-C4'-P energy: -41.392 tors. eta vs tors. theta energy: 25.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1701.622115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.622115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.622115 (E_RNA) where: Base-Base interactions energy: -1160.753 where: short stacking energy: -506.243 Base-Backbone interact. energy: -0.946 local terms energy: -539.923960 where: bonds (distance) C4'-P energy: -95.466 bonds (distance) P-C4' energy: -95.745 flat angles C4'-P-C4' energy: -114.440 flat angles P-C4'-P energy: -76.094 tors. eta vs tors. theta energy: -158.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1609.505964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.505964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.505964 (E_RNA) where: Base-Base interactions energy: -1104.069 where: short stacking energy: -493.671 Base-Backbone interact. energy: -2.989 local terms energy: -502.448211 where: bonds (distance) C4'-P energy: -95.999 bonds (distance) P-C4' energy: -102.724 flat angles C4'-P-C4' energy: -96.618 flat angles P-C4'-P energy: -74.749 tors. eta vs tors. theta energy: -132.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1521.921202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.921202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.921202 (E_RNA) where: Base-Base interactions energy: -1029.410 where: short stacking energy: -445.913 Base-Backbone interact. energy: -5.867 local terms energy: -486.644744 where: bonds (distance) C4'-P energy: -98.136 bonds (distance) P-C4' energy: -88.476 flat angles C4'-P-C4' energy: -104.677 flat angles P-C4'-P energy: -57.003 tors. eta vs tors. theta energy: -138.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1438.724406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.724406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.724406 (E_RNA) where: Base-Base interactions energy: -971.594 where: short stacking energy: -417.896 Base-Backbone interact. energy: -2.630 local terms energy: -464.499948 where: bonds (distance) C4'-P energy: -79.621 bonds (distance) P-C4' energy: -88.509 flat angles C4'-P-C4' energy: -95.968 flat angles P-C4'-P energy: -73.036 tors. eta vs tors. theta energy: -127.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1347.845889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.845889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.845889 (E_RNA) where: Base-Base interactions energy: -915.829 where: short stacking energy: -400.324 Base-Backbone interact. energy: 2.687 local terms energy: -434.704061 where: bonds (distance) C4'-P energy: -88.892 bonds (distance) P-C4' energy: -76.335 flat angles C4'-P-C4' energy: -95.548 flat angles P-C4'-P energy: -63.509 tors. eta vs tors. theta energy: -110.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1252.770117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.770117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.770117 (E_RNA) where: Base-Base interactions energy: -846.271 where: short stacking energy: -378.176 Base-Backbone interact. energy: 0.513 local terms energy: -407.011884 where: bonds (distance) C4'-P energy: -78.248 bonds (distance) P-C4' energy: -64.033 flat angles C4'-P-C4' energy: -90.973 flat angles P-C4'-P energy: -62.317 tors. eta vs tors. theta energy: -111.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1111.631907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.631907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.631907 (E_RNA) where: Base-Base interactions energy: -718.572 where: short stacking energy: -332.150 Base-Backbone interact. energy: -1.126 local terms energy: -391.934620 where: bonds (distance) C4'-P energy: -84.378 bonds (distance) P-C4' energy: -81.327 flat angles C4'-P-C4' energy: -83.623 flat angles P-C4'-P energy: -54.656 tors. eta vs tors. theta energy: -87.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -923.356511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.356511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.356511 (E_RNA) where: Base-Base interactions energy: -580.754 where: short stacking energy: -273.951 Base-Backbone interact. energy: -2.763 local terms energy: -339.840376 where: bonds (distance) C4'-P energy: -81.507 bonds (distance) P-C4' energy: -77.636 flat angles C4'-P-C4' energy: -83.515 flat angles P-C4'-P energy: -52.725 tors. eta vs tors. theta energy: -44.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -521.149035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.149035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.149035 (E_RNA) where: Base-Base interactions energy: -258.140 where: short stacking energy: -149.888 Base-Backbone interact. energy: -0.703 local terms energy: -262.306231 where: bonds (distance) C4'-P energy: -69.653 bonds (distance) P-C4' energy: -73.761 flat angles C4'-P-C4' energy: -57.046 flat angles P-C4'-P energy: -53.084 tors. eta vs tors. theta energy: -8.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -384.444896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.444896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.444896 (E_RNA) where: Base-Base interactions energy: -116.965 where: short stacking energy: -99.437 Base-Backbone interact. energy: 2.465 local terms energy: -269.944499 where: bonds (distance) C4'-P energy: -85.904 bonds (distance) P-C4' energy: -88.050 flat angles C4'-P-C4' energy: -71.106 flat angles P-C4'-P energy: -43.406 tors. eta vs tors. theta energy: 18.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1701.568168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.568168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.568168 (E_RNA) where: Base-Base interactions energy: -1181.588 where: short stacking energy: -493.311 Base-Backbone interact. energy: -2.725 local terms energy: -517.255081 where: bonds (distance) C4'-P energy: -87.089 bonds (distance) P-C4' energy: -91.352 flat angles C4'-P-C4' energy: -112.280 flat angles P-C4'-P energy: -77.145 tors. eta vs tors. theta energy: -149.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1595.327204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.327204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.327204 (E_RNA) where: Base-Base interactions energy: -1105.718 where: short stacking energy: -476.436 Base-Backbone interact. energy: -2.032 local terms energy: -487.577289 where: bonds (distance) C4'-P energy: -91.092 bonds (distance) P-C4' energy: -87.462 flat angles C4'-P-C4' energy: -98.821 flat angles P-C4'-P energy: -68.761 tors. eta vs tors. theta energy: -141.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1525.514505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.514505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.514505 (E_RNA) where: Base-Base interactions energy: -1034.546 where: short stacking energy: -429.742 Base-Backbone interact. energy: -3.148 local terms energy: -487.819894 where: bonds (distance) C4'-P energy: -100.551 bonds (distance) P-C4' energy: -96.718 flat angles C4'-P-C4' energy: -93.087 flat angles P-C4'-P energy: -62.958 tors. eta vs tors. theta energy: -134.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1455.578998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.578998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.578998 (E_RNA) where: Base-Base interactions energy: -1008.538 where: short stacking energy: -422.085 Base-Backbone interact. energy: -0.322 local terms energy: -446.718582 where: bonds (distance) C4'-P energy: -73.861 bonds (distance) P-C4' energy: -82.173 flat angles C4'-P-C4' energy: -92.162 flat angles P-C4'-P energy: -67.659 tors. eta vs tors. theta energy: -130.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1339.468107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.468107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.468107 (E_RNA) where: Base-Base interactions energy: -901.006 where: short stacking energy: -399.165 Base-Backbone interact. energy: -0.072 local terms energy: -438.390048 where: bonds (distance) C4'-P energy: -87.104 bonds (distance) P-C4' energy: -85.927 flat angles C4'-P-C4' energy: -90.996 flat angles P-C4'-P energy: -66.976 tors. eta vs tors. theta energy: -107.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1295.745333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.745333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.745333 (E_RNA) where: Base-Base interactions energy: -877.803 where: short stacking energy: -410.083 Base-Backbone interact. energy: -0.728 local terms energy: -417.214014 where: bonds (distance) C4'-P energy: -57.875 bonds (distance) P-C4' energy: -86.518 flat angles C4'-P-C4' energy: -103.222 flat angles P-C4'-P energy: -47.971 tors. eta vs tors. theta energy: -121.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1038.160619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.160619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.160619 (E_RNA) where: Base-Base interactions energy: -664.413 where: short stacking energy: -307.075 Base-Backbone interact. energy: -2.346 local terms energy: -371.401399 where: bonds (distance) C4'-P energy: -76.186 bonds (distance) P-C4' energy: -76.601 flat angles C4'-P-C4' energy: -79.391 flat angles P-C4'-P energy: -59.969 tors. eta vs tors. theta energy: -79.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -871.305751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.305751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.305751 (E_RNA) where: Base-Base interactions energy: -546.822 where: short stacking energy: -253.026 Base-Backbone interact. energy: 1.571 local terms energy: -326.054794 where: bonds (distance) C4'-P energy: -71.698 bonds (distance) P-C4' energy: -73.778 flat angles C4'-P-C4' energy: -69.597 flat angles P-C4'-P energy: -59.510 tors. eta vs tors. theta energy: -51.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -513.976426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.976426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.976426 (E_RNA) where: Base-Base interactions energy: -262.811 where: short stacking energy: -146.993 Base-Backbone interact. energy: -1.845 local terms energy: -249.320209 where: bonds (distance) C4'-P energy: -67.159 bonds (distance) P-C4' energy: -82.518 flat angles C4'-P-C4' energy: -79.181 flat angles P-C4'-P energy: -22.400 tors. eta vs tors. theta energy: 1.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -378.742467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.742467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.742467 (E_RNA) where: Base-Base interactions energy: -135.601 where: short stacking energy: -116.475 Base-Backbone interact. energy: 3.151 local terms energy: -246.293078 where: bonds (distance) C4'-P energy: -77.073 bonds (distance) P-C4' energy: -79.853 flat angles C4'-P-C4' energy: -66.206 flat angles P-C4'-P energy: -28.394 tors. eta vs tors. theta energy: 5.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1714.419691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.419691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.419691 (E_RNA) where: Base-Base interactions energy: -1179.568 where: short stacking energy: -522.023 Base-Backbone interact. energy: -1.792 local terms energy: -533.059847 where: bonds (distance) C4'-P energy: -95.094 bonds (distance) P-C4' energy: -93.136 flat angles C4'-P-C4' energy: -116.846 flat angles P-C4'-P energy: -74.760 tors. eta vs tors. theta energy: -153.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1571.699198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.699198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.699198 (E_RNA) where: Base-Base interactions energy: -1060.692 where: short stacking energy: -461.053 Base-Backbone interact. energy: -5.418 local terms energy: -505.588775 where: bonds (distance) C4'-P energy: -95.830 bonds (distance) P-C4' energy: -94.421 flat angles C4'-P-C4' energy: -106.304 flat angles P-C4'-P energy: -74.576 tors. eta vs tors. theta energy: -134.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1553.383407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.383407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.383407 (E_RNA) where: Base-Base interactions energy: -1089.581 where: short stacking energy: -468.147 Base-Backbone interact. energy: -0.817 local terms energy: -462.986065 where: bonds (distance) C4'-P energy: -87.695 bonds (distance) P-C4' energy: -85.006 flat angles C4'-P-C4' energy: -102.897 flat angles P-C4'-P energy: -58.467 tors. eta vs tors. theta energy: -128.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1477.984817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.984817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.984817 (E_RNA) where: Base-Base interactions energy: -1002.329 where: short stacking energy: -430.248 Base-Backbone interact. energy: -1.587 local terms energy: -474.068856 where: bonds (distance) C4'-P energy: -96.009 bonds (distance) P-C4' energy: -94.468 flat angles C4'-P-C4' energy: -93.082 flat angles P-C4'-P energy: -68.318 tors. eta vs tors. theta energy: -122.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1309.433238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.433238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.433238 (E_RNA) where: Base-Base interactions energy: -870.235 where: short stacking energy: -395.222 Base-Backbone interact. energy: 0.177 local terms energy: -439.374924 where: bonds (distance) C4'-P energy: -77.990 bonds (distance) P-C4' energy: -86.410 flat angles C4'-P-C4' energy: -92.101 flat angles P-C4'-P energy: -71.236 tors. eta vs tors. theta energy: -111.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1286.111221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.111221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.111221 (E_RNA) where: Base-Base interactions energy: -855.307 where: short stacking energy: -385.564 Base-Backbone interact. energy: -1.217 local terms energy: -429.587288 where: bonds (distance) C4'-P energy: -78.203 bonds (distance) P-C4' energy: -81.888 flat angles C4'-P-C4' energy: -97.238 flat angles P-C4'-P energy: -62.322 tors. eta vs tors. theta energy: -109.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1050.539820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.539820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.539820 (E_RNA) where: Base-Base interactions energy: -683.187 where: short stacking energy: -335.257 Base-Backbone interact. energy: -2.247 local terms energy: -365.105102 where: bonds (distance) C4'-P energy: -84.658 bonds (distance) P-C4' energy: -88.444 flat angles C4'-P-C4' energy: -86.669 flat angles P-C4'-P energy: -37.686 tors. eta vs tors. theta energy: -67.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -837.260568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.260568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.260568 (E_RNA) where: Base-Base interactions energy: -517.485 where: short stacking energy: -252.442 Base-Backbone interact. energy: -0.947 local terms energy: -318.829154 where: bonds (distance) C4'-P energy: -82.152 bonds (distance) P-C4' energy: -80.774 flat angles C4'-P-C4' energy: -69.228 flat angles P-C4'-P energy: -46.351 tors. eta vs tors. theta energy: -40.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -505.941798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.941798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.941798 (E_RNA) where: Base-Base interactions energy: -251.618 where: short stacking energy: -151.242 Base-Backbone interact. energy: 3.539 local terms energy: -257.862993 where: bonds (distance) C4'-P energy: -78.996 bonds (distance) P-C4' energy: -76.654 flat angles C4'-P-C4' energy: -69.473 flat angles P-C4'-P energy: -33.289 tors. eta vs tors. theta energy: 0.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -355.349726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -355.349726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -355.349726 (E_RNA) where: Base-Base interactions energy: -120.930 where: short stacking energy: -108.586 Base-Backbone interact. energy: -2.488 local terms energy: -231.931309 where: bonds (distance) C4'-P energy: -71.562 bonds (distance) P-C4' energy: -76.256 flat angles C4'-P-C4' energy: -69.624 flat angles P-C4'-P energy: -30.469 tors. eta vs tors. theta energy: 15.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1713.743000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.743000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.743000 (E_RNA) where: Base-Base interactions energy: -1205.343 where: short stacking energy: -504.228 Base-Backbone interact. energy: -1.171 local terms energy: -507.228505 where: bonds (distance) C4'-P energy: -91.986 bonds (distance) P-C4' energy: -93.496 flat angles C4'-P-C4' energy: -96.375 flat angles P-C4'-P energy: -69.177 tors. eta vs tors. theta energy: -156.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1529.113276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.113276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.113276 (E_RNA) where: Base-Base interactions energy: -1041.800 where: short stacking energy: -464.066 Base-Backbone interact. energy: -3.484 local terms energy: -483.829972 where: bonds (distance) C4'-P energy: -87.147 bonds (distance) P-C4' energy: -92.333 flat angles C4'-P-C4' energy: -104.775 flat angles P-C4'-P energy: -68.461 tors. eta vs tors. theta energy: -131.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1563.621762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.621762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.621762 (E_RNA) where: Base-Base interactions energy: -1085.320 where: short stacking energy: -486.635 Base-Backbone interact. energy: -0.641 local terms energy: -477.660321 where: bonds (distance) C4'-P energy: -83.483 bonds (distance) P-C4' energy: -88.636 flat angles C4'-P-C4' energy: -98.130 flat angles P-C4'-P energy: -69.571 tors. eta vs tors. theta energy: -137.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1421.677208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.677208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.677208 (E_RNA) where: Base-Base interactions energy: -955.637 where: short stacking energy: -410.010 Base-Backbone interact. energy: -2.308 local terms energy: -463.732199 where: bonds (distance) C4'-P energy: -75.683 bonds (distance) P-C4' energy: -89.276 flat angles C4'-P-C4' energy: -104.039 flat angles P-C4'-P energy: -67.198 tors. eta vs tors. theta energy: -127.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1297.533105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.533105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.533105 (E_RNA) where: Base-Base interactions energy: -864.821 where: short stacking energy: -384.417 Base-Backbone interact. energy: -0.959 local terms energy: -431.753800 where: bonds (distance) C4'-P energy: -86.249 bonds (distance) P-C4' energy: -84.264 flat angles C4'-P-C4' energy: -94.281 flat angles P-C4'-P energy: -63.100 tors. eta vs tors. theta energy: -103.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1299.048343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.048343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.048343 (E_RNA) where: Base-Base interactions energy: -874.596 where: short stacking energy: -388.549 Base-Backbone interact. energy: -0.311 local terms energy: -424.141042 where: bonds (distance) C4'-P energy: -87.767 bonds (distance) P-C4' energy: -88.556 flat angles C4'-P-C4' energy: -94.284 flat angles P-C4'-P energy: -50.322 tors. eta vs tors. theta energy: -103.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1064.079775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.079775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.079775 (E_RNA) where: Base-Base interactions energy: -688.496 where: short stacking energy: -319.727 Base-Backbone interact. energy: 0.915 local terms energy: -376.499216 where: bonds (distance) C4'-P energy: -83.239 bonds (distance) P-C4' energy: -88.374 flat angles C4'-P-C4' energy: -81.666 flat angles P-C4'-P energy: -54.574 tors. eta vs tors. theta energy: -68.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -960.253038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.253038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.253038 (E_RNA) where: Base-Base interactions energy: -611.324 where: short stacking energy: -306.547 Base-Backbone interact. energy: 4.509 local terms energy: -353.438424 where: bonds (distance) C4'-P energy: -66.654 bonds (distance) P-C4' energy: -70.679 flat angles C4'-P-C4' energy: -88.629 flat angles P-C4'-P energy: -47.232 tors. eta vs tors. theta energy: -80.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -554.596700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.596700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.596700 (E_RNA) where: Base-Base interactions energy: -265.869 where: short stacking energy: -165.623 Base-Backbone interact. energy: 1.470 local terms energy: -290.197738 where: bonds (distance) C4'-P energy: -71.494 bonds (distance) P-C4' energy: -76.474 flat angles C4'-P-C4' energy: -77.237 flat angles P-C4'-P energy: -52.153 tors. eta vs tors. theta energy: -12.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -397.486045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.486045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.486045 (E_RNA) where: Base-Base interactions energy: -138.532 where: short stacking energy: -122.850 Base-Backbone interact. energy: -0.427 local terms energy: -258.526878 where: bonds (distance) C4'-P energy: -80.149 bonds (distance) P-C4' energy: -63.496 flat angles C4'-P-C4' energy: -66.686 flat angles P-C4'-P energy: -43.876 tors. eta vs tors. theta energy: -4.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1720.597929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.597929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.597929 (E_RNA) where: Base-Base interactions energy: -1188.250 where: short stacking energy: -509.126 Base-Backbone interact. energy: -2.720 local terms energy: -529.627383 where: bonds (distance) C4'-P energy: -87.801 bonds (distance) P-C4' energy: -99.593 flat angles C4'-P-C4' energy: -114.515 flat angles P-C4'-P energy: -74.822 tors. eta vs tors. theta energy: -152.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1583.465051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.465051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.465051 (E_RNA) where: Base-Base interactions energy: -1109.087 where: short stacking energy: -469.285 Base-Backbone interact. energy: -1.951 local terms energy: -472.427066 where: bonds (distance) C4'-P energy: -87.645 bonds (distance) P-C4' energy: -88.357 flat angles C4'-P-C4' energy: -102.160 flat angles P-C4'-P energy: -56.421 tors. eta vs tors. theta energy: -137.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1557.149803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.149803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.149803 (E_RNA) where: Base-Base interactions energy: -1080.252 where: short stacking energy: -458.316 Base-Backbone interact. energy: -0.288 local terms energy: -476.610047 where: bonds (distance) C4'-P energy: -83.405 bonds (distance) P-C4' energy: -94.335 flat angles C4'-P-C4' energy: -93.546 flat angles P-C4'-P energy: -59.614 tors. eta vs tors. theta energy: -145.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1438.271614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.271614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.271614 (E_RNA) where: Base-Base interactions energy: -970.948 where: short stacking energy: -433.209 Base-Backbone interact. energy: -0.897 local terms energy: -466.426964 where: bonds (distance) C4'-P energy: -88.145 bonds (distance) P-C4' energy: -76.221 flat angles C4'-P-C4' energy: -98.957 flat angles P-C4'-P energy: -77.418 tors. eta vs tors. theta energy: -125.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1280.469659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.469659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.469659 (E_RNA) where: Base-Base interactions energy: -836.752 where: short stacking energy: -385.466 Base-Backbone interact. energy: -1.703 local terms energy: -442.015417 where: bonds (distance) C4'-P energy: -78.295 bonds (distance) P-C4' energy: -82.451 flat angles C4'-P-C4' energy: -100.148 flat angles P-C4'-P energy: -75.743 tors. eta vs tors. theta energy: -105.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1326.697886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.697886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.697886 (E_RNA) where: Base-Base interactions energy: -871.944 where: short stacking energy: -413.350 Base-Backbone interact. energy: -1.299 local terms energy: -453.455524 where: bonds (distance) C4'-P energy: -66.069 bonds (distance) P-C4' energy: -91.399 flat angles C4'-P-C4' energy: -105.262 flat angles P-C4'-P energy: -72.100 tors. eta vs tors. theta energy: -118.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1086.383488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.383488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.383488 (E_RNA) where: Base-Base interactions energy: -704.529 where: short stacking energy: -320.161 Base-Backbone interact. energy: -0.156 local terms energy: -381.698436 where: bonds (distance) C4'-P energy: -85.739 bonds (distance) P-C4' energy: -81.066 flat angles C4'-P-C4' energy: -79.586 flat angles P-C4'-P energy: -52.651 tors. eta vs tors. theta energy: -82.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -908.448433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.448433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.448433 (E_RNA) where: Base-Base interactions energy: -565.376 where: short stacking energy: -267.532 Base-Backbone interact. energy: -2.854 local terms energy: -340.218380 where: bonds (distance) C4'-P energy: -61.985 bonds (distance) P-C4' energy: -92.111 flat angles C4'-P-C4' energy: -87.483 flat angles P-C4'-P energy: -41.620 tors. eta vs tors. theta energy: -57.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -528.752473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.752473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.752473 (E_RNA) where: Base-Base interactions energy: -239.881 where: short stacking energy: -140.226 Base-Backbone interact. energy: -0.787 local terms energy: -288.084545 where: bonds (distance) C4'-P energy: -75.216 bonds (distance) P-C4' energy: -78.644 flat angles C4'-P-C4' energy: -81.896 flat angles P-C4'-P energy: -51.988 tors. eta vs tors. theta energy: -0.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -349.647616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.647616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.647616 (E_RNA) where: Base-Base interactions energy: -137.130 where: short stacking energy: -126.024 Base-Backbone interact. energy: 4.516 local terms energy: -217.034169 where: bonds (distance) C4'-P energy: -71.018 bonds (distance) P-C4' energy: -68.837 flat angles C4'-P-C4' energy: -65.715 flat angles P-C4'-P energy: -38.884 tors. eta vs tors. theta energy: 27.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1716.882160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.882160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.882160 (E_RNA) where: Base-Base interactions energy: -1184.737 where: short stacking energy: -499.929 Base-Backbone interact. energy: -1.281 local terms energy: -530.865048 where: bonds (distance) C4'-P energy: -91.204 bonds (distance) P-C4' energy: -91.112 flat angles C4'-P-C4' energy: -105.628 flat angles P-C4'-P energy: -83.275 tors. eta vs tors. theta energy: -159.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1601.441846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.441846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.441846 (E_RNA) where: Base-Base interactions energy: -1105.235 where: short stacking energy: -470.965 Base-Backbone interact. energy: -1.516 local terms energy: -494.691435 where: bonds (distance) C4'-P energy: -91.524 bonds (distance) P-C4' energy: -87.706 flat angles C4'-P-C4' energy: -108.146 flat angles P-C4'-P energy: -68.449 tors. eta vs tors. theta energy: -138.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1522.856595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.856595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.856595 (E_RNA) where: Base-Base interactions energy: -1029.631 where: short stacking energy: -451.804 Base-Backbone interact. energy: 0.616 local terms energy: -493.841517 where: bonds (distance) C4'-P energy: -99.668 bonds (distance) P-C4' energy: -97.022 flat angles C4'-P-C4' energy: -101.901 flat angles P-C4'-P energy: -67.739 tors. eta vs tors. theta energy: -127.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1446.661816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.661816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.661816 (E_RNA) where: Base-Base interactions energy: -990.977 where: short stacking energy: -430.876 Base-Backbone interact. energy: -3.423 local terms energy: -452.262738 where: bonds (distance) C4'-P energy: -86.730 bonds (distance) P-C4' energy: -82.506 flat angles C4'-P-C4' energy: -108.005 flat angles P-C4'-P energy: -59.020 tors. eta vs tors. theta energy: -116.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1326.177580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.177580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.177580 (E_RNA) where: Base-Base interactions energy: -869.670 where: short stacking energy: -398.773 Base-Backbone interact. energy: 1.071 local terms energy: -457.578362 where: bonds (distance) C4'-P energy: -92.232 bonds (distance) P-C4' energy: -92.535 flat angles C4'-P-C4' energy: -94.667 flat angles P-C4'-P energy: -70.720 tors. eta vs tors. theta energy: -107.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1258.783169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.783169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.783169 (E_RNA) where: Base-Base interactions energy: -816.602 where: short stacking energy: -360.314 Base-Backbone interact. energy: -1.599 local terms energy: -440.582684 where: bonds (distance) C4'-P energy: -95.277 bonds (distance) P-C4' energy: -77.163 flat angles C4'-P-C4' energy: -89.249 flat angles P-C4'-P energy: -67.196 tors. eta vs tors. theta energy: -111.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -976.458091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.458091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.458091 (E_RNA) where: Base-Base interactions energy: -593.049 where: short stacking energy: -295.430 Base-Backbone interact. energy: -0.249 local terms energy: -383.160309 where: bonds (distance) C4'-P energy: -78.556 bonds (distance) P-C4' energy: -84.452 flat angles C4'-P-C4' energy: -88.561 flat angles P-C4'-P energy: -44.450 tors. eta vs tors. theta energy: -87.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1019.802456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.802456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.802456 (E_RNA) where: Base-Base interactions energy: -653.289 where: short stacking energy: -312.439 Base-Backbone interact. energy: -1.689 local terms energy: -364.824447 where: bonds (distance) C4'-P energy: -82.730 bonds (distance) P-C4' energy: -78.131 flat angles C4'-P-C4' energy: -83.166 flat angles P-C4'-P energy: -48.754 tors. eta vs tors. theta energy: -72.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -497.804392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.804392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.804392 (E_RNA) where: Base-Base interactions energy: -215.531 where: short stacking energy: -148.916 Base-Backbone interact. energy: 1.672 local terms energy: -283.945089 where: bonds (distance) C4'-P energy: -91.631 bonds (distance) P-C4' energy: -76.218 flat angles C4'-P-C4' energy: -66.834 flat angles P-C4'-P energy: -39.195 tors. eta vs tors. theta energy: -10.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -365.859282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.859282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.859282 (E_RNA) where: Base-Base interactions energy: -128.516 where: short stacking energy: -118.434 Base-Backbone interact. energy: -1.299 local terms energy: -236.043943 where: bonds (distance) C4'-P energy: -71.426 bonds (distance) P-C4' energy: -73.055 flat angles C4'-P-C4' energy: -70.743 flat angles P-C4'-P energy: -26.852 tors. eta vs tors. theta energy: 6.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1708.768999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.768999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.768999 (E_RNA) where: Base-Base interactions energy: -1178.230 where: short stacking energy: -509.137 Base-Backbone interact. energy: -0.615 local terms energy: -529.924255 where: bonds (distance) C4'-P energy: -92.022 bonds (distance) P-C4' energy: -97.753 flat angles C4'-P-C4' energy: -107.483 flat angles P-C4'-P energy: -72.279 tors. eta vs tors. theta energy: -160.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1578.905463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.905463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.905463 (E_RNA) where: Base-Base interactions energy: -1097.609 where: short stacking energy: -456.552 Base-Backbone interact. energy: 0.316 local terms energy: -481.612470 where: bonds (distance) C4'-P energy: -89.163 bonds (distance) P-C4' energy: -93.447 flat angles C4'-P-C4' energy: -96.010 flat angles P-C4'-P energy: -63.306 tors. eta vs tors. theta energy: -139.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1542.732963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.732963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.732963 (E_RNA) where: Base-Base interactions energy: -1047.391 where: short stacking energy: -469.616 Base-Backbone interact. energy: 0.015 local terms energy: -495.356260 where: bonds (distance) C4'-P energy: -95.076 bonds (distance) P-C4' energy: -100.104 flat angles C4'-P-C4' energy: -96.428 flat angles P-C4'-P energy: -69.692 tors. eta vs tors. theta energy: -134.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1426.419992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.419992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.419992 (E_RNA) where: Base-Base interactions energy: -948.426 where: short stacking energy: -410.407 Base-Backbone interact. energy: -1.873 local terms energy: -476.120834 where: bonds (distance) C4'-P energy: -80.153 bonds (distance) P-C4' energy: -100.852 flat angles C4'-P-C4' energy: -114.778 flat angles P-C4'-P energy: -56.960 tors. eta vs tors. theta energy: -123.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1342.473704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.473704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.473704 (E_RNA) where: Base-Base interactions energy: -904.885 where: short stacking energy: -391.248 Base-Backbone interact. energy: -1.141 local terms energy: -436.448090 where: bonds (distance) C4'-P energy: -85.366 bonds (distance) P-C4' energy: -83.999 flat angles C4'-P-C4' energy: -96.749 flat angles P-C4'-P energy: -67.425 tors. eta vs tors. theta energy: -102.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1280.757112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.757112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.757112 (E_RNA) where: Base-Base interactions energy: -845.999 where: short stacking energy: -392.406 Base-Backbone interact. energy: 1.152 local terms energy: -435.909261 where: bonds (distance) C4'-P energy: -100.415 bonds (distance) P-C4' energy: -72.416 flat angles C4'-P-C4' energy: -97.465 flat angles P-C4'-P energy: -66.758 tors. eta vs tors. theta energy: -98.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -999.468841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.468841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.468841 (E_RNA) where: Base-Base interactions energy: -632.777 where: short stacking energy: -299.635 Base-Backbone interact. energy: 0.862 local terms energy: -367.553380 where: bonds (distance) C4'-P energy: -69.365 bonds (distance) P-C4' energy: -89.495 flat angles C4'-P-C4' energy: -76.416 flat angles P-C4'-P energy: -57.037 tors. eta vs tors. theta energy: -75.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -955.653165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.653165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.653165 (E_RNA) where: Base-Base interactions energy: -635.359 where: short stacking energy: -276.026 Base-Backbone interact. energy: -1.149 local terms energy: -319.145327 where: bonds (distance) C4'-P energy: -66.041 bonds (distance) P-C4' energy: -71.436 flat angles C4'-P-C4' energy: -85.643 flat angles P-C4'-P energy: -45.209 tors. eta vs tors. theta energy: -50.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -502.446928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.446928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.446928 (E_RNA) where: Base-Base interactions energy: -231.921 where: short stacking energy: -152.575 Base-Backbone interact. energy: -1.515 local terms energy: -269.011521 where: bonds (distance) C4'-P energy: -71.016 bonds (distance) P-C4' energy: -73.835 flat angles C4'-P-C4' energy: -66.464 flat angles P-C4'-P energy: -51.783 tors. eta vs tors. theta energy: -5.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -415.113176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.113176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.113176 (E_RNA) where: Base-Base interactions energy: -176.779 where: short stacking energy: -137.097 Base-Backbone interact. energy: 1.645 local terms energy: -239.978811 where: bonds (distance) C4'-P energy: -76.063 bonds (distance) P-C4' energy: -72.966 flat angles C4'-P-C4' energy: -68.887 flat angles P-C4'-P energy: -22.214 tors. eta vs tors. theta energy: 0.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1719.031405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.031405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.031405 (E_RNA) where: Base-Base interactions energy: -1189.287 where: short stacking energy: -509.052 Base-Backbone interact. energy: -1.213 local terms energy: -528.531002 where: bonds (distance) C4'-P energy: -95.053 bonds (distance) P-C4' energy: -91.625 flat angles C4'-P-C4' energy: -111.027 flat angles P-C4'-P energy: -68.508 tors. eta vs tors. theta energy: -162.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1571.503338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.503338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.503338 (E_RNA) where: Base-Base interactions energy: -1094.018 where: short stacking energy: -465.282 Base-Backbone interact. energy: -2.016 local terms energy: -475.468966 where: bonds (distance) C4'-P energy: -86.693 bonds (distance) P-C4' energy: -87.231 flat angles C4'-P-C4' energy: -100.211 flat angles P-C4'-P energy: -74.426 tors. eta vs tors. theta energy: -126.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1439.797626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.797626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.797626 (E_RNA) where: Base-Base interactions energy: -969.644 where: short stacking energy: -427.275 Base-Backbone interact. energy: -3.233 local terms energy: -466.921193 where: bonds (distance) C4'-P energy: -85.734 bonds (distance) P-C4' energy: -93.658 flat angles C4'-P-C4' energy: -98.606 flat angles P-C4'-P energy: -67.469 tors. eta vs tors. theta energy: -121.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1472.184357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.184357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.184357 (E_RNA) where: Base-Base interactions energy: -997.000 where: short stacking energy: -418.161 Base-Backbone interact. energy: -0.149 local terms energy: -475.035390 where: bonds (distance) C4'-P energy: -86.688 bonds (distance) P-C4' energy: -92.101 flat angles C4'-P-C4' energy: -92.466 flat angles P-C4'-P energy: -73.204 tors. eta vs tors. theta energy: -130.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1354.697233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.697233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.697233 (E_RNA) where: Base-Base interactions energy: -899.917 where: short stacking energy: -407.390 Base-Backbone interact. energy: 4.339 local terms energy: -459.119070 where: bonds (distance) C4'-P energy: -83.569 bonds (distance) P-C4' energy: -93.857 flat angles C4'-P-C4' energy: -98.653 flat angles P-C4'-P energy: -72.829 tors. eta vs tors. theta energy: -110.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1248.342246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.342246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.342246 (E_RNA) where: Base-Base interactions energy: -832.110 where: short stacking energy: -379.141 Base-Backbone interact. energy: -0.237 local terms energy: -415.996161 where: bonds (distance) C4'-P energy: -71.927 bonds (distance) P-C4' energy: -82.060 flat angles C4'-P-C4' energy: -96.290 flat angles P-C4'-P energy: -60.273 tors. eta vs tors. theta energy: -105.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1018.336986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.336986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.336986 (E_RNA) where: Base-Base interactions energy: -645.767 where: short stacking energy: -332.719 Base-Backbone interact. energy: -0.377 local terms energy: -372.192670 where: bonds (distance) C4'-P energy: -70.298 bonds (distance) P-C4' energy: -77.384 flat angles C4'-P-C4' energy: -91.080 flat angles P-C4'-P energy: -50.167 tors. eta vs tors. theta energy: -83.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -887.928425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.928425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.928425 (E_RNA) where: Base-Base interactions energy: -557.610 where: short stacking energy: -253.961 Base-Backbone interact. energy: -1.112 local terms energy: -329.207088 where: bonds (distance) C4'-P energy: -65.745 bonds (distance) P-C4' energy: -83.423 flat angles C4'-P-C4' energy: -88.970 flat angles P-C4'-P energy: -39.939 tors. eta vs tors. theta energy: -51.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -529.742667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.742667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.742667 (E_RNA) where: Base-Base interactions energy: -255.032 where: short stacking energy: -153.625 Base-Backbone interact. energy: 0.810 local terms energy: -275.520029 where: bonds (distance) C4'-P energy: -70.407 bonds (distance) P-C4' energy: -84.672 flat angles C4'-P-C4' energy: -70.184 flat angles P-C4'-P energy: -42.949 tors. eta vs tors. theta energy: -7.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -455.349868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.349868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.349868 (E_RNA) where: Base-Base interactions energy: -203.580 where: short stacking energy: -137.645 Base-Backbone interact. energy: -2.304 local terms energy: -249.466062 where: bonds (distance) C4'-P energy: -70.056 bonds (distance) P-C4' energy: -87.166 flat angles C4'-P-C4' energy: -77.066 flat angles P-C4'-P energy: -13.141 tors. eta vs tors. theta energy: -2.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1712.007857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.007857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.007857 (E_RNA) where: Base-Base interactions energy: -1187.966 where: short stacking energy: -511.682 Base-Backbone interact. energy: -2.170 local terms energy: -521.872132 where: bonds (distance) C4'-P energy: -90.165 bonds (distance) P-C4' energy: -92.115 flat angles C4'-P-C4' energy: -114.706 flat angles P-C4'-P energy: -67.137 tors. eta vs tors. theta energy: -157.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1556.172709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.172709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.172709 (E_RNA) where: Base-Base interactions energy: -1071.808 where: short stacking energy: -447.606 Base-Backbone interact. energy: -1.910 local terms energy: -482.455093 where: bonds (distance) C4'-P energy: -81.581 bonds (distance) P-C4' energy: -93.239 flat angles C4'-P-C4' energy: -105.599 flat angles P-C4'-P energy: -61.258 tors. eta vs tors. theta energy: -140.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1502.622680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.622680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.622680 (E_RNA) where: Base-Base interactions energy: -1034.204 where: short stacking energy: -451.462 Base-Backbone interact. energy: -1.657 local terms energy: -466.761612 where: bonds (distance) C4'-P energy: -89.680 bonds (distance) P-C4' energy: -79.905 flat angles C4'-P-C4' energy: -98.645 flat angles P-C4'-P energy: -61.394 tors. eta vs tors. theta energy: -137.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1480.079154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.079154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.079154 (E_RNA) where: Base-Base interactions energy: -1024.515 where: short stacking energy: -455.188 Base-Backbone interact. energy: -1.189 local terms energy: -454.375170 where: bonds (distance) C4'-P energy: -74.301 bonds (distance) P-C4' energy: -88.109 flat angles C4'-P-C4' energy: -106.517 flat angles P-C4'-P energy: -55.262 tors. eta vs tors. theta energy: -130.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1358.863328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.863328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.863328 (E_RNA) where: Base-Base interactions energy: -925.062 where: short stacking energy: -403.095 Base-Backbone interact. energy: 2.513 local terms energy: -436.313877 where: bonds (distance) C4'-P energy: -79.540 bonds (distance) P-C4' energy: -94.304 flat angles C4'-P-C4' energy: -93.232 flat angles P-C4'-P energy: -66.171 tors. eta vs tors. theta energy: -103.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1293.128354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.128354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.128354 (E_RNA) where: Base-Base interactions energy: -858.435 where: short stacking energy: -378.290 Base-Backbone interact. energy: -2.596 local terms energy: -432.097965 where: bonds (distance) C4'-P energy: -87.534 bonds (distance) P-C4' energy: -82.849 flat angles C4'-P-C4' energy: -99.670 flat angles P-C4'-P energy: -49.356 tors. eta vs tors. theta energy: -112.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -986.422000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.422000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.422000 (E_RNA) where: Base-Base interactions energy: -638.358 where: short stacking energy: -293.108 Base-Backbone interact. energy: 2.738 local terms energy: -350.802218 where: bonds (distance) C4'-P energy: -71.908 bonds (distance) P-C4' energy: -76.180 flat angles C4'-P-C4' energy: -93.840 flat angles P-C4'-P energy: -42.448 tors. eta vs tors. theta energy: -66.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -921.530497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.530497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.530497 (E_RNA) where: Base-Base interactions energy: -572.403 where: short stacking energy: -264.196 Base-Backbone interact. energy: -1.144 local terms energy: -347.983428 where: bonds (distance) C4'-P energy: -88.952 bonds (distance) P-C4' energy: -79.580 flat angles C4'-P-C4' energy: -69.767 flat angles P-C4'-P energy: -50.361 tors. eta vs tors. theta energy: -59.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -520.648107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.648107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.648107 (E_RNA) where: Base-Base interactions energy: -258.899 where: short stacking energy: -186.520 Base-Backbone interact. energy: 3.114 local terms energy: -264.862863 where: bonds (distance) C4'-P energy: -69.356 bonds (distance) P-C4' energy: -71.771 flat angles C4'-P-C4' energy: -70.236 flat angles P-C4'-P energy: -47.777 tors. eta vs tors. theta energy: -5.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -410.589105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.589105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.589105 (E_RNA) where: Base-Base interactions energy: -191.992 where: short stacking energy: -132.835 Base-Backbone interact. energy: 1.288 local terms energy: -219.885717 where: bonds (distance) C4'-P energy: -78.969 bonds (distance) P-C4' energy: -75.880 flat angles C4'-P-C4' energy: -39.839 flat angles P-C4'-P energy: -40.002 tors. eta vs tors. theta energy: 14.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1726.552242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.552242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.552242 (E_RNA) where: Base-Base interactions energy: -1197.789 where: short stacking energy: -526.501 Base-Backbone interact. energy: -1.387 local terms energy: -527.376035 where: bonds (distance) C4'-P energy: -90.427 bonds (distance) P-C4' energy: -85.234 flat angles C4'-P-C4' energy: -111.882 flat angles P-C4'-P energy: -77.567 tors. eta vs tors. theta energy: -162.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1550.094257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.094257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.094257 (E_RNA) where: Base-Base interactions energy: -1050.773 where: short stacking energy: -455.203 Base-Backbone interact. energy: -2.080 local terms energy: -497.241103 where: bonds (distance) C4'-P energy: -87.107 bonds (distance) P-C4' energy: -101.582 flat angles C4'-P-C4' energy: -102.299 flat angles P-C4'-P energy: -69.959 tors. eta vs tors. theta energy: -136.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1528.189055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.189055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.189055 (E_RNA) where: Base-Base interactions energy: -1043.870 where: short stacking energy: -470.155 Base-Backbone interact. energy: -1.404 local terms energy: -482.914509 where: bonds (distance) C4'-P energy: -76.446 bonds (distance) P-C4' energy: -97.561 flat angles C4'-P-C4' energy: -97.874 flat angles P-C4'-P energy: -81.352 tors. eta vs tors. theta energy: -129.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1434.982278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.982278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.982278 (E_RNA) where: Base-Base interactions energy: -976.131 where: short stacking energy: -418.644 Base-Backbone interact. energy: -1.385 local terms energy: -457.465805 where: bonds (distance) C4'-P energy: -92.778 bonds (distance) P-C4' energy: -91.524 flat angles C4'-P-C4' energy: -98.971 flat angles P-C4'-P energy: -64.079 tors. eta vs tors. theta energy: -110.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1382.321107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.321107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.321107 (E_RNA) where: Base-Base interactions energy: -937.565 where: short stacking energy: -419.948 Base-Backbone interact. energy: 1.311 local terms energy: -446.067252 where: bonds (distance) C4'-P energy: -82.581 bonds (distance) P-C4' energy: -84.292 flat angles C4'-P-C4' energy: -102.384 flat angles P-C4'-P energy: -62.245 tors. eta vs tors. theta energy: -114.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1293.472679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.472679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.472679 (E_RNA) where: Base-Base interactions energy: -856.777 where: short stacking energy: -385.379 Base-Backbone interact. energy: -3.530 local terms energy: -433.166499 where: bonds (distance) C4'-P energy: -78.126 bonds (distance) P-C4' energy: -83.271 flat angles C4'-P-C4' energy: -104.959 flat angles P-C4'-P energy: -63.557 tors. eta vs tors. theta energy: -103.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1038.870678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.870678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.870678 (E_RNA) where: Base-Base interactions energy: -659.505 where: short stacking energy: -333.223 Base-Backbone interact. energy: -2.055 local terms energy: -377.310721 where: bonds (distance) C4'-P energy: -78.263 bonds (distance) P-C4' energy: -83.111 flat angles C4'-P-C4' energy: -89.599 flat angles P-C4'-P energy: -51.439 tors. eta vs tors. theta energy: -74.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -917.550315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.550315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.550315 (E_RNA) where: Base-Base interactions energy: -584.206 where: short stacking energy: -262.680 Base-Backbone interact. energy: 1.169 local terms energy: -334.513378 where: bonds (distance) C4'-P energy: -66.724 bonds (distance) P-C4' energy: -74.916 flat angles C4'-P-C4' energy: -96.697 flat angles P-C4'-P energy: -46.576 tors. eta vs tors. theta energy: -49.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -515.543648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.543648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.543648 (E_RNA) where: Base-Base interactions energy: -223.250 where: short stacking energy: -139.806 Base-Backbone interact. energy: 0.053 local terms energy: -292.346766 where: bonds (distance) C4'-P energy: -56.935 bonds (distance) P-C4' energy: -87.410 flat angles C4'-P-C4' energy: -80.614 flat angles P-C4'-P energy: -43.345 tors. eta vs tors. theta energy: -24.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -446.309376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.309376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.309376 (E_RNA) where: Base-Base interactions energy: -179.001 where: short stacking energy: -114.833 Base-Backbone interact. energy: -1.276 local terms energy: -266.032307 where: bonds (distance) C4'-P energy: -82.566 bonds (distance) P-C4' energy: -88.893 flat angles C4'-P-C4' energy: -83.844 flat angles P-C4'-P energy: -32.202 tors. eta vs tors. theta energy: 21.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1706.072814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.072814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.072814 (E_RNA) where: Base-Base interactions energy: -1172.473 where: short stacking energy: -504.501 Base-Backbone interact. energy: -3.666 local terms energy: -529.934392 where: bonds (distance) C4'-P energy: -91.358 bonds (distance) P-C4' energy: -92.259 flat angles C4'-P-C4' energy: -114.665 flat angles P-C4'-P energy: -72.263 tors. eta vs tors. theta energy: -159.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1543.355162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.355162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.355162 (E_RNA) where: Base-Base interactions energy: -1051.024 where: short stacking energy: -458.103 Base-Backbone interact. energy: -4.060 local terms energy: -488.271467 where: bonds (distance) C4'-P energy: -85.064 bonds (distance) P-C4' energy: -93.528 flat angles C4'-P-C4' energy: -105.013 flat angles P-C4'-P energy: -71.935 tors. eta vs tors. theta energy: -132.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1484.814339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.814339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.814339 (E_RNA) where: Base-Base interactions energy: -1011.506 where: short stacking energy: -434.682 Base-Backbone interact. energy: -1.541 local terms energy: -471.767153 where: bonds (distance) C4'-P energy: -87.468 bonds (distance) P-C4' energy: -103.429 flat angles C4'-P-C4' energy: -100.906 flat angles P-C4'-P energy: -62.297 tors. eta vs tors. theta energy: -117.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1438.642025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.642025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.642025 (E_RNA) where: Base-Base interactions energy: -970.809 where: short stacking energy: -423.035 Base-Backbone interact. energy: 1.123 local terms energy: -468.956312 where: bonds (distance) C4'-P energy: -75.007 bonds (distance) P-C4' energy: -91.021 flat angles C4'-P-C4' energy: -110.418 flat angles P-C4'-P energy: -73.859 tors. eta vs tors. theta energy: -118.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1357.929228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.929228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.929228 (E_RNA) where: Base-Base interactions energy: -912.774 where: short stacking energy: -417.943 Base-Backbone interact. energy: -3.299 local terms energy: -441.856557 where: bonds (distance) C4'-P energy: -79.822 bonds (distance) P-C4' energy: -83.552 flat angles C4'-P-C4' energy: -98.217 flat angles P-C4'-P energy: -55.439 tors. eta vs tors. theta energy: -124.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1233.617861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.617861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.617861 (E_RNA) where: Base-Base interactions energy: -812.505 where: short stacking energy: -386.645 Base-Backbone interact. energy: -1.872 local terms energy: -419.241102 where: bonds (distance) C4'-P energy: -79.371 bonds (distance) P-C4' energy: -87.941 flat angles C4'-P-C4' energy: -89.128 flat angles P-C4'-P energy: -54.775 tors. eta vs tors. theta energy: -108.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1076.265399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.265399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.265399 (E_RNA) where: Base-Base interactions energy: -681.786 where: short stacking energy: -345.394 Base-Backbone interact. energy: -0.544 local terms energy: -393.934584 where: bonds (distance) C4'-P energy: -85.112 bonds (distance) P-C4' energy: -88.358 flat angles C4'-P-C4' energy: -86.714 flat angles P-C4'-P energy: -43.052 tors. eta vs tors. theta energy: -90.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -854.621441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.621441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.621441 (E_RNA) where: Base-Base interactions energy: -522.638 where: short stacking energy: -251.600 Base-Backbone interact. energy: 1.892 local terms energy: -333.875910 where: bonds (distance) C4'-P energy: -63.901 bonds (distance) P-C4' energy: -96.098 flat angles C4'-P-C4' energy: -80.259 flat angles P-C4'-P energy: -47.001 tors. eta vs tors. theta energy: -46.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -548.394574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.394574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.394574 (E_RNA) where: Base-Base interactions energy: -252.652 where: short stacking energy: -174.119 Base-Backbone interact. energy: 0.903 local terms energy: -296.645493 where: bonds (distance) C4'-P energy: -82.346 bonds (distance) P-C4' energy: -82.559 flat angles C4'-P-C4' energy: -58.883 flat angles P-C4'-P energy: -53.324 tors. eta vs tors. theta energy: -19.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -419.574810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.574810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.574810 (E_RNA) where: Base-Base interactions energy: -178.652 where: short stacking energy: -120.693 Base-Backbone interact. energy: -1.132 local terms energy: -239.791115 where: bonds (distance) C4'-P energy: -65.451 bonds (distance) P-C4' energy: -85.940 flat angles C4'-P-C4' energy: -59.455 flat angles P-C4'-P energy: -42.057 tors. eta vs tors. theta energy: 13.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1685.991780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.991780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.991780 (E_RNA) where: Base-Base interactions energy: -1161.765 where: short stacking energy: -534.628 Base-Backbone interact. energy: -0.463 local terms energy: -523.763927 where: bonds (distance) C4'-P energy: -92.508 bonds (distance) P-C4' energy: -97.831 flat angles C4'-P-C4' energy: -101.548 flat angles P-C4'-P energy: -70.326 tors. eta vs tors. theta energy: -161.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1552.201413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.201413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.201413 (E_RNA) where: Base-Base interactions energy: -1061.658 where: short stacking energy: -446.631 Base-Backbone interact. energy: -2.773 local terms energy: -487.769908 where: bonds (distance) C4'-P energy: -97.155 bonds (distance) P-C4' energy: -89.392 flat angles C4'-P-C4' energy: -102.809 flat angles P-C4'-P energy: -75.165 tors. eta vs tors. theta energy: -123.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1532.076594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.076594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.076594 (E_RNA) where: Base-Base interactions energy: -1028.174 where: short stacking energy: -470.721 Base-Backbone interact. energy: -1.071 local terms energy: -502.831069 where: bonds (distance) C4'-P energy: -92.821 bonds (distance) P-C4' energy: -97.314 flat angles C4'-P-C4' energy: -100.124 flat angles P-C4'-P energy: -78.420 tors. eta vs tors. theta energy: -134.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1443.269509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.269509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.269509 (E_RNA) where: Base-Base interactions energy: -991.963 where: short stacking energy: -449.967 Base-Backbone interact. energy: -1.600 local terms energy: -449.706409 where: bonds (distance) C4'-P energy: -74.228 bonds (distance) P-C4' energy: -75.485 flat angles C4'-P-C4' energy: -101.656 flat angles P-C4'-P energy: -70.906 tors. eta vs tors. theta energy: -127.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1372.204664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.204664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.204664 (E_RNA) where: Base-Base interactions energy: -933.941 where: short stacking energy: -423.352 Base-Backbone interact. energy: 0.011 local terms energy: -438.274454 where: bonds (distance) C4'-P energy: -80.524 bonds (distance) P-C4' energy: -77.301 flat angles C4'-P-C4' energy: -100.964 flat angles P-C4'-P energy: -58.099 tors. eta vs tors. theta energy: -121.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1229.831023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.831023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.831023 (E_RNA) where: Base-Base interactions energy: -794.584 where: short stacking energy: -372.124 Base-Backbone interact. energy: -2.835 local terms energy: -432.411681 where: bonds (distance) C4'-P energy: -95.288 bonds (distance) P-C4' energy: -72.440 flat angles C4'-P-C4' energy: -95.522 flat angles P-C4'-P energy: -65.963 tors. eta vs tors. theta energy: -103.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1105.951144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.951144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.951144 (E_RNA) where: Base-Base interactions energy: -707.472 where: short stacking energy: -338.725 Base-Backbone interact. energy: -1.612 local terms energy: -396.867913 where: bonds (distance) C4'-P energy: -83.225 bonds (distance) P-C4' energy: -76.843 flat angles C4'-P-C4' energy: -91.787 flat angles P-C4'-P energy: -64.340 tors. eta vs tors. theta energy: -80.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -890.645507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.645507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.645507 (E_RNA) where: Base-Base interactions energy: -551.024 where: short stacking energy: -246.409 Base-Backbone interact. energy: 0.562 local terms energy: -340.183607 where: bonds (distance) C4'-P energy: -66.548 bonds (distance) P-C4' energy: -71.089 flat angles C4'-P-C4' energy: -91.215 flat angles P-C4'-P energy: -57.390 tors. eta vs tors. theta energy: -53.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -567.220996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.220996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.220996 (E_RNA) where: Base-Base interactions energy: -282.565 where: short stacking energy: -177.794 Base-Backbone interact. energy: -1.063 local terms energy: -283.593559 where: bonds (distance) C4'-P energy: -80.434 bonds (distance) P-C4' energy: -80.301 flat angles C4'-P-C4' energy: -80.054 flat angles P-C4'-P energy: -40.050 tors. eta vs tors. theta energy: -2.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -422.826043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.826043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.826043 (E_RNA) where: Base-Base interactions energy: -172.872 where: short stacking energy: -125.737 Base-Backbone interact. energy: 0.418 local terms energy: -250.371479 where: bonds (distance) C4'-P energy: -74.972 bonds (distance) P-C4' energy: -76.442 flat angles C4'-P-C4' energy: -63.577 flat angles P-C4'-P energy: -44.407 tors. eta vs tors. theta energy: 9.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1719.060789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.060789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.060789 (E_RNA) where: Base-Base interactions energy: -1183.583 where: short stacking energy: -514.985 Base-Backbone interact. energy: -1.560 local terms energy: -533.917307 where: bonds (distance) C4'-P energy: -96.169 bonds (distance) P-C4' energy: -96.823 flat angles C4'-P-C4' energy: -110.186 flat angles P-C4'-P energy: -75.685 tors. eta vs tors. theta energy: -155.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1555.849048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.849048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.849048 (E_RNA) where: Base-Base interactions energy: -1067.396 where: short stacking energy: -473.615 Base-Backbone interact. energy: -0.151 local terms energy: -488.301856 where: bonds (distance) C4'-P energy: -81.530 bonds (distance) P-C4' energy: -101.260 flat angles C4'-P-C4' energy: -106.795 flat angles P-C4'-P energy: -64.765 tors. eta vs tors. theta energy: -133.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1573.272703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.272703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.272703 (E_RNA) where: Base-Base interactions energy: -1086.128 where: short stacking energy: -468.982 Base-Backbone interact. energy: -1.881 local terms energy: -485.263569 where: bonds (distance) C4'-P energy: -87.543 bonds (distance) P-C4' energy: -91.240 flat angles C4'-P-C4' energy: -103.580 flat angles P-C4'-P energy: -67.504 tors. eta vs tors. theta energy: -135.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1439.945171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.945171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.945171 (E_RNA) where: Base-Base interactions energy: -972.384 where: short stacking energy: -430.091 Base-Backbone interact. energy: -2.432 local terms energy: -465.128674 where: bonds (distance) C4'-P energy: -95.216 bonds (distance) P-C4' energy: -89.394 flat angles C4'-P-C4' energy: -94.782 flat angles P-C4'-P energy: -52.598 tors. eta vs tors. theta energy: -133.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1380.931710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.931710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.931710 (E_RNA) where: Base-Base interactions energy: -943.052 where: short stacking energy: -416.181 Base-Backbone interact. energy: -1.226 local terms energy: -436.654338 where: bonds (distance) C4'-P energy: -73.692 bonds (distance) P-C4' energy: -75.972 flat angles C4'-P-C4' energy: -97.958 flat angles P-C4'-P energy: -67.551 tors. eta vs tors. theta energy: -121.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1275.602383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.602383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.602383 (E_RNA) where: Base-Base interactions energy: -837.769 where: short stacking energy: -376.878 Base-Backbone interact. energy: 2.007 local terms energy: -439.839947 where: bonds (distance) C4'-P energy: -82.596 bonds (distance) P-C4' energy: -94.358 flat angles C4'-P-C4' energy: -93.130 flat angles P-C4'-P energy: -70.377 tors. eta vs tors. theta energy: -99.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1154.723297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.723297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.723297 (E_RNA) where: Base-Base interactions energy: -743.689 where: short stacking energy: -336.078 Base-Backbone interact. energy: -1.241 local terms energy: -409.793917 where: bonds (distance) C4'-P energy: -92.402 bonds (distance) P-C4' energy: -83.188 flat angles C4'-P-C4' energy: -96.808 flat angles P-C4'-P energy: -53.236 tors. eta vs tors. theta energy: -84.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -922.166933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.166933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.166933 (E_RNA) where: Base-Base interactions energy: -576.858 where: short stacking energy: -280.227 Base-Backbone interact. energy: 3.420 local terms energy: -348.728885 where: bonds (distance) C4'-P energy: -79.689 bonds (distance) P-C4' energy: -70.136 flat angles C4'-P-C4' energy: -97.813 flat angles P-C4'-P energy: -40.107 tors. eta vs tors. theta energy: -60.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -507.093731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.093731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.093731 (E_RNA) where: Base-Base interactions energy: -231.698 where: short stacking energy: -146.943 Base-Backbone interact. energy: -0.267 local terms energy: -275.129199 where: bonds (distance) C4'-P energy: -74.027 bonds (distance) P-C4' energy: -88.137 flat angles C4'-P-C4' energy: -62.288 flat angles P-C4'-P energy: -57.445 tors. eta vs tors. theta energy: 6.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -426.291095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.291095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.291095 (E_RNA) where: Base-Base interactions energy: -165.145 where: short stacking energy: -101.913 Base-Backbone interact. energy: 1.849 local terms energy: -262.995845 where: bonds (distance) C4'-P energy: -84.861 bonds (distance) P-C4' energy: -83.159 flat angles C4'-P-C4' energy: -57.011 flat angles P-C4'-P energy: -40.018 tors. eta vs tors. theta energy: 2.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1700.958434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.958434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.958434 (E_RNA) where: Base-Base interactions energy: -1169.380 where: short stacking energy: -513.326 Base-Backbone interact. energy: -1.150 local terms energy: -530.429135 where: bonds (distance) C4'-P energy: -98.452 bonds (distance) P-C4' energy: -96.259 flat angles C4'-P-C4' energy: -110.598 flat angles P-C4'-P energy: -75.204 tors. eta vs tors. theta energy: -149.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1578.854559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.854559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.854559 (E_RNA) where: Base-Base interactions energy: -1087.511 where: short stacking energy: -476.588 Base-Backbone interact. energy: -1.175 local terms energy: -490.169353 where: bonds (distance) C4'-P energy: -82.143 bonds (distance) P-C4' energy: -99.729 flat angles C4'-P-C4' energy: -106.042 flat angles P-C4'-P energy: -60.423 tors. eta vs tors. theta energy: -141.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1544.689422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.689422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.689422 (E_RNA) where: Base-Base interactions energy: -1078.306 where: short stacking energy: -457.068 Base-Backbone interact. energy: 1.171 local terms energy: -467.554650 where: bonds (distance) C4'-P energy: -84.090 bonds (distance) P-C4' energy: -94.466 flat angles C4'-P-C4' energy: -86.186 flat angles P-C4'-P energy: -67.286 tors. eta vs tors. theta energy: -135.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1413.349629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.349629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.349629 (E_RNA) where: Base-Base interactions energy: -988.650 where: short stacking energy: -403.003 Base-Backbone interact. energy: -0.401 local terms energy: -424.298080 where: bonds (distance) C4'-P energy: -75.649 bonds (distance) P-C4' energy: -87.526 flat angles C4'-P-C4' energy: -96.318 flat angles P-C4'-P energy: -65.082 tors. eta vs tors. theta energy: -99.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1388.252269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.252269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.252269 (E_RNA) where: Base-Base interactions energy: -961.215 where: short stacking energy: -428.737 Base-Backbone interact. energy: -2.070 local terms energy: -424.966953 where: bonds (distance) C4'-P energy: -77.890 bonds (distance) P-C4' energy: -79.614 flat angles C4'-P-C4' energy: -82.275 flat angles P-C4'-P energy: -60.983 tors. eta vs tors. theta energy: -124.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1275.525816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.525816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.525816 (E_RNA) where: Base-Base interactions energy: -829.753 where: short stacking energy: -367.734 Base-Backbone interact. energy: 1.626 local terms energy: -447.398800 where: bonds (distance) C4'-P energy: -86.661 bonds (distance) P-C4' energy: -95.113 flat angles C4'-P-C4' energy: -99.721 flat angles P-C4'-P energy: -66.776 tors. eta vs tors. theta energy: -99.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1114.357816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.357816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.357816 (E_RNA) where: Base-Base interactions energy: -714.044 where: short stacking energy: -348.183 Base-Backbone interact. energy: -1.148 local terms energy: -399.165091 where: bonds (distance) C4'-P energy: -76.130 bonds (distance) P-C4' energy: -84.847 flat angles C4'-P-C4' energy: -92.749 flat angles P-C4'-P energy: -50.465 tors. eta vs tors. theta energy: -94.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -882.077946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.077946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.077946 (E_RNA) where: Base-Base interactions energy: -529.219 where: short stacking energy: -275.890 Base-Backbone interact. energy: -1.352 local terms energy: -351.507253 where: bonds (distance) C4'-P energy: -84.754 bonds (distance) P-C4' energy: -87.498 flat angles C4'-P-C4' energy: -69.967 flat angles P-C4'-P energy: -53.439 tors. eta vs tors. theta energy: -55.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -494.260497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.260497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.260497 (E_RNA) where: Base-Base interactions energy: -233.878 where: short stacking energy: -127.126 Base-Backbone interact. energy: -2.042 local terms energy: -258.340352 where: bonds (distance) C4'-P energy: -67.712 bonds (distance) P-C4' energy: -84.242 flat angles C4'-P-C4' energy: -71.509 flat angles P-C4'-P energy: -36.644 tors. eta vs tors. theta energy: 1.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -438.938565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.938565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.938565 (E_RNA) where: Base-Base interactions energy: -198.117 where: short stacking energy: -125.660 Base-Backbone interact. energy: 1.160 local terms energy: -241.981647 where: bonds (distance) C4'-P energy: -69.530 bonds (distance) P-C4' energy: -81.107 flat angles C4'-P-C4' energy: -63.053 flat angles P-C4'-P energy: -37.380 tors. eta vs tors. theta energy: 9.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1737.336400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.336400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.336400 (E_RNA) where: Base-Base interactions energy: -1209.675 where: short stacking energy: -537.746 Base-Backbone interact. energy: -0.939 local terms energy: -526.722602 where: bonds (distance) C4'-P energy: -90.986 bonds (distance) P-C4' energy: -92.013 flat angles C4'-P-C4' energy: -109.196 flat angles P-C4'-P energy: -81.053 tors. eta vs tors. theta energy: -153.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1577.098497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.098497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.098497 (E_RNA) where: Base-Base interactions energy: -1082.135 where: short stacking energy: -468.139 Base-Backbone interact. energy: -1.749 local terms energy: -493.214881 where: bonds (distance) C4'-P energy: -95.894 bonds (distance) P-C4' energy: -88.514 flat angles C4'-P-C4' energy: -101.732 flat angles P-C4'-P energy: -65.778 tors. eta vs tors. theta energy: -141.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1530.590349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.590349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.590349 (E_RNA) where: Base-Base interactions energy: -1045.276 where: short stacking energy: -449.226 Base-Backbone interact. energy: -0.286 local terms energy: -485.027829 where: bonds (distance) C4'-P energy: -82.899 bonds (distance) P-C4' energy: -94.069 flat angles C4'-P-C4' energy: -95.818 flat angles P-C4'-P energy: -77.190 tors. eta vs tors. theta energy: -135.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1398.436051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.436051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.436051 (E_RNA) where: Base-Base interactions energy: -981.475 where: short stacking energy: -373.095 Base-Backbone interact. energy: -2.622 local terms energy: -414.338519 where: bonds (distance) C4'-P energy: -78.223 bonds (distance) P-C4' energy: -83.311 flat angles C4'-P-C4' energy: -95.315 flat angles P-C4'-P energy: -47.556 tors. eta vs tors. theta energy: -109.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1400.121645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.121645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.121645 (E_RNA) where: Base-Base interactions energy: -918.661 where: short stacking energy: -420.233 Base-Backbone interact. energy: 1.464 local terms energy: -482.925120 where: bonds (distance) C4'-P energy: -98.038 bonds (distance) P-C4' energy: -93.407 flat angles C4'-P-C4' energy: -97.505 flat angles P-C4'-P energy: -66.090 tors. eta vs tors. theta energy: -127.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1260.359263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.359263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.359263 (E_RNA) where: Base-Base interactions energy: -844.416 where: short stacking energy: -403.479 Base-Backbone interact. energy: -1.012 local terms energy: -414.931314 where: bonds (distance) C4'-P energy: -80.991 bonds (distance) P-C4' energy: -76.834 flat angles C4'-P-C4' energy: -98.366 flat angles P-C4'-P energy: -53.792 tors. eta vs tors. theta energy: -104.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1064.270814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.270814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.270814 (E_RNA) where: Base-Base interactions energy: -678.212 where: short stacking energy: -325.877 Base-Backbone interact. energy: 0.613 local terms energy: -386.671577 where: bonds (distance) C4'-P energy: -81.927 bonds (distance) P-C4' energy: -84.670 flat angles C4'-P-C4' energy: -88.563 flat angles P-C4'-P energy: -56.215 tors. eta vs tors. theta energy: -75.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -857.119324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.119324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.119324 (E_RNA) where: Base-Base interactions energy: -528.091 where: short stacking energy: -240.297 Base-Backbone interact. energy: 2.285 local terms energy: -331.313158 where: bonds (distance) C4'-P energy: -82.795 bonds (distance) P-C4' energy: -83.241 flat angles C4'-P-C4' energy: -71.274 flat angles P-C4'-P energy: -49.670 tors. eta vs tors. theta energy: -44.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -517.812574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.812574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.812574 (E_RNA) where: Base-Base interactions energy: -247.905 where: short stacking energy: -147.442 Base-Backbone interact. energy: -1.537 local terms energy: -268.370756 where: bonds (distance) C4'-P energy: -83.141 bonds (distance) P-C4' energy: -84.342 flat angles C4'-P-C4' energy: -61.722 flat angles P-C4'-P energy: -41.800 tors. eta vs tors. theta energy: 2.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -420.682344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.682344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.682344 (E_RNA) where: Base-Base interactions energy: -167.726 where: short stacking energy: -131.294 Base-Backbone interact. energy: 0.410 local terms energy: -253.366806 where: bonds (distance) C4'-P energy: -74.788 bonds (distance) P-C4' energy: -89.213 flat angles C4'-P-C4' energy: -63.697 flat angles P-C4'-P energy: -41.747 tors. eta vs tors. theta energy: 16.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1718.422353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.422353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.422353 (E_RNA) where: Base-Base interactions energy: -1186.711 where: short stacking energy: -514.493 Base-Backbone interact. energy: -0.991 local terms energy: -530.720612 where: bonds (distance) C4'-P energy: -91.373 bonds (distance) P-C4' energy: -91.674 flat angles C4'-P-C4' energy: -109.101 flat angles P-C4'-P energy: -75.687 tors. eta vs tors. theta energy: -162.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1580.074885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.074885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.074885 (E_RNA) where: Base-Base interactions energy: -1107.476 where: short stacking energy: -490.972 Base-Backbone interact. energy: -3.253 local terms energy: -469.345440 where: bonds (distance) C4'-P energy: -79.702 bonds (distance) P-C4' energy: -80.547 flat angles C4'-P-C4' energy: -102.364 flat angles P-C4'-P energy: -67.460 tors. eta vs tors. theta energy: -139.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1489.797802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.797802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.797802 (E_RNA) where: Base-Base interactions energy: -1030.214 where: short stacking energy: -443.120 Base-Backbone interact. energy: -1.736 local terms energy: -457.848273 where: bonds (distance) C4'-P energy: -79.824 bonds (distance) P-C4' energy: -91.002 flat angles C4'-P-C4' energy: -93.821 flat angles P-C4'-P energy: -64.813 tors. eta vs tors. theta energy: -128.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1393.634723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.634723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.634723 (E_RNA) where: Base-Base interactions energy: -932.395 where: short stacking energy: -416.541 Base-Backbone interact. energy: -2.028 local terms energy: -459.211354 where: bonds (distance) C4'-P energy: -82.461 bonds (distance) P-C4' energy: -87.068 flat angles C4'-P-C4' energy: -92.128 flat angles P-C4'-P energy: -70.197 tors. eta vs tors. theta energy: -127.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1382.303802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.303802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.303802 (E_RNA) where: Base-Base interactions energy: -937.799 where: short stacking energy: -414.088 Base-Backbone interact. energy: -1.970 local terms energy: -442.534635 where: bonds (distance) C4'-P energy: -83.997 bonds (distance) P-C4' energy: -80.079 flat angles C4'-P-C4' energy: -99.376 flat angles P-C4'-P energy: -60.031 tors. eta vs tors. theta energy: -119.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1277.637247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.637247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.637247 (E_RNA) where: Base-Base interactions energy: -841.293 where: short stacking energy: -373.663 Base-Backbone interact. energy: -2.374 local terms energy: -433.970396 where: bonds (distance) C4'-P energy: -78.335 bonds (distance) P-C4' energy: -93.267 flat angles C4'-P-C4' energy: -99.760 flat angles P-C4'-P energy: -62.390 tors. eta vs tors. theta energy: -100.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -1088.376132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.376132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.376132 (E_RNA) where: Base-Base interactions energy: -708.154 where: short stacking energy: -319.398 Base-Backbone interact. energy: 0.209 local terms energy: -380.430798 where: bonds (distance) C4'-P energy: -78.586 bonds (distance) P-C4' energy: -91.180 flat angles C4'-P-C4' energy: -79.428 flat angles P-C4'-P energy: -52.459 tors. eta vs tors. theta energy: -78.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -862.134084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.134084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.134084 (E_RNA) where: Base-Base interactions energy: -518.425 where: short stacking energy: -234.726 Base-Backbone interact. energy: -1.764 local terms energy: -341.945394 where: bonds (distance) C4'-P energy: -79.560 bonds (distance) P-C4' energy: -75.994 flat angles C4'-P-C4' energy: -92.301 flat angles P-C4'-P energy: -45.190 tors. eta vs tors. theta energy: -48.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -499.871964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.871964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.871964 (E_RNA) where: Base-Base interactions energy: -233.933 where: short stacking energy: -137.200 Base-Backbone interact. energy: 3.741 local terms energy: -269.680197 where: bonds (distance) C4'-P energy: -84.228 bonds (distance) P-C4' energy: -75.113 flat angles C4'-P-C4' energy: -71.998 flat angles P-C4'-P energy: -52.907 tors. eta vs tors. theta energy: 14.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -419.623914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.623914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.623914 (E_RNA) where: Base-Base interactions energy: -185.907 where: short stacking energy: -135.166 Base-Backbone interact. energy: 1.407 local terms energy: -235.123320 where: bonds (distance) C4'-P energy: -70.435 bonds (distance) P-C4' energy: -70.211 flat angles C4'-P-C4' energy: -63.963 flat angles P-C4'-P energy: -42.436 tors. eta vs tors. theta energy: 11.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1735.542256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.542256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.542256 (E_RNA) where: Base-Base interactions energy: -1214.826 where: short stacking energy: -506.840 Base-Backbone interact. energy: 0.571 local terms energy: -521.286911 where: bonds (distance) C4'-P energy: -96.449 bonds (distance) P-C4' energy: -85.606 flat angles C4'-P-C4' energy: -103.506 flat angles P-C4'-P energy: -77.193 tors. eta vs tors. theta energy: -158.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1641.467951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.467951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.467951 (E_RNA) where: Base-Base interactions energy: -1114.424 where: short stacking energy: -470.037 Base-Backbone interact. energy: -1.513 local terms energy: -525.530755 where: bonds (distance) C4'-P energy: -96.698 bonds (distance) P-C4' energy: -94.687 flat angles C4'-P-C4' energy: -111.591 flat angles P-C4'-P energy: -83.195 tors. eta vs tors. theta energy: -139.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1509.813763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.813763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.813763 (E_RNA) where: Base-Base interactions energy: -1034.583 where: short stacking energy: -429.371 Base-Backbone interact. energy: -1.971 local terms energy: -473.259944 where: bonds (distance) C4'-P energy: -84.253 bonds (distance) P-C4' energy: -96.394 flat angles C4'-P-C4' energy: -114.013 flat angles P-C4'-P energy: -52.747 tors. eta vs tors. theta energy: -125.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1421.487205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.487205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.487205 (E_RNA) where: Base-Base interactions energy: -929.787 where: short stacking energy: -424.912 Base-Backbone interact. energy: -1.000 local terms energy: -490.700154 where: bonds (distance) C4'-P energy: -88.304 bonds (distance) P-C4' energy: -102.347 flat angles C4'-P-C4' energy: -108.049 flat angles P-C4'-P energy: -65.568 tors. eta vs tors. theta energy: -126.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1383.711163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.711163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.711163 (E_RNA) where: Base-Base interactions energy: -930.117 where: short stacking energy: -409.425 Base-Backbone interact. energy: 5.010 local terms energy: -458.603826 where: bonds (distance) C4'-P energy: -91.324 bonds (distance) P-C4' energy: -78.732 flat angles C4'-P-C4' energy: -99.959 flat angles P-C4'-P energy: -65.146 tors. eta vs tors. theta energy: -123.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1295.316947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.316947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.316947 (E_RNA) where: Base-Base interactions energy: -864.298 where: short stacking energy: -384.085 Base-Backbone interact. energy: -1.056 local terms energy: -429.962546 where: bonds (distance) C4'-P energy: -86.448 bonds (distance) P-C4' energy: -94.271 flat angles C4'-P-C4' energy: -94.827 flat angles P-C4'-P energy: -50.756 tors. eta vs tors. theta energy: -103.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1113.201188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.201188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.201188 (E_RNA) where: Base-Base interactions energy: -740.779 where: short stacking energy: -355.098 Base-Backbone interact. energy: -0.399 local terms energy: -372.023095 where: bonds (distance) C4'-P energy: -68.685 bonds (distance) P-C4' energy: -69.692 flat angles C4'-P-C4' energy: -94.972 flat angles P-C4'-P energy: -48.007 tors. eta vs tors. theta energy: -90.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -885.839618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.839618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.839618 (E_RNA) where: Base-Base interactions energy: -547.459 where: short stacking energy: -257.106 Base-Backbone interact. energy: -2.864 local terms energy: -335.516574 where: bonds (distance) C4'-P energy: -85.072 bonds (distance) P-C4' energy: -67.591 flat angles C4'-P-C4' energy: -81.415 flat angles P-C4'-P energy: -50.048 tors. eta vs tors. theta energy: -51.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -480.647633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.647633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.647633 (E_RNA) where: Base-Base interactions energy: -225.222 where: short stacking energy: -151.506 Base-Backbone interact. energy: 0.411 local terms energy: -255.835936 where: bonds (distance) C4'-P energy: -65.680 bonds (distance) P-C4' energy: -86.156 flat angles C4'-P-C4' energy: -68.626 flat angles P-C4'-P energy: -31.826 tors. eta vs tors. theta energy: -3.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -437.874595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.874595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.874595 (E_RNA) where: Base-Base interactions energy: -174.091 where: short stacking energy: -131.891 Base-Backbone interact. energy: -0.577 local terms energy: -263.206225 where: bonds (distance) C4'-P energy: -71.233 bonds (distance) P-C4' energy: -88.038 flat angles C4'-P-C4' energy: -67.133 flat angles P-C4'-P energy: -39.522 tors. eta vs tors. theta energy: 2.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1722.543361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.543361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.543361 (E_RNA) where: Base-Base interactions energy: -1208.432 where: short stacking energy: -518.210 Base-Backbone interact. energy: 3.068 local terms energy: -517.179533 where: bonds (distance) C4'-P energy: -94.443 bonds (distance) P-C4' energy: -95.366 flat angles C4'-P-C4' energy: -109.404 flat angles P-C4'-P energy: -58.860 tors. eta vs tors. theta energy: -159.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1623.369985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.369985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.369985 (E_RNA) where: Base-Base interactions energy: -1127.519 where: short stacking energy: -501.582 Base-Backbone interact. energy: -2.127 local terms energy: -493.724581 where: bonds (distance) C4'-P energy: -89.766 bonds (distance) P-C4' energy: -81.785 flat angles C4'-P-C4' energy: -111.434 flat angles P-C4'-P energy: -68.939 tors. eta vs tors. theta energy: -141.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1526.897372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.897372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.897372 (E_RNA) where: Base-Base interactions energy: -1058.808 where: short stacking energy: -426.915 Base-Backbone interact. energy: -3.250 local terms energy: -464.839295 where: bonds (distance) C4'-P energy: -88.632 bonds (distance) P-C4' energy: -85.918 flat angles C4'-P-C4' energy: -98.215 flat angles P-C4'-P energy: -65.896 tors. eta vs tors. theta energy: -126.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1440.321756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.321756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.321756 (E_RNA) where: Base-Base interactions energy: -974.292 where: short stacking energy: -437.164 Base-Backbone interact. energy: -0.692 local terms energy: -465.336931 where: bonds (distance) C4'-P energy: -91.909 bonds (distance) P-C4' energy: -87.154 flat angles C4'-P-C4' energy: -91.915 flat angles P-C4'-P energy: -65.020 tors. eta vs tors. theta energy: -129.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1397.487277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.487277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.487277 (E_RNA) where: Base-Base interactions energy: -953.356 where: short stacking energy: -422.137 Base-Backbone interact. energy: -0.314 local terms energy: -443.817200 where: bonds (distance) C4'-P energy: -66.498 bonds (distance) P-C4' energy: -95.143 flat angles C4'-P-C4' energy: -93.888 flat angles P-C4'-P energy: -62.280 tors. eta vs tors. theta energy: -126.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1261.803591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.803591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.803591 (E_RNA) where: Base-Base interactions energy: -852.342 where: short stacking energy: -375.941 Base-Backbone interact. energy: -0.722 local terms energy: -408.740300 where: bonds (distance) C4'-P energy: -83.738 bonds (distance) P-C4' energy: -90.012 flat angles C4'-P-C4' energy: -85.901 flat angles P-C4'-P energy: -63.607 tors. eta vs tors. theta energy: -85.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1128.399620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.399620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.399620 (E_RNA) where: Base-Base interactions energy: -722.572 where: short stacking energy: -356.474 Base-Backbone interact. energy: -0.581 local terms energy: -405.246855 where: bonds (distance) C4'-P energy: -82.834 bonds (distance) P-C4' energy: -69.876 flat angles C4'-P-C4' energy: -90.810 flat angles P-C4'-P energy: -62.637 tors. eta vs tors. theta energy: -99.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -887.136841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.136841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.136841 (E_RNA) where: Base-Base interactions energy: -541.630 where: short stacking energy: -271.919 Base-Backbone interact. energy: 3.257 local terms energy: -348.763782 where: bonds (distance) C4'-P energy: -68.793 bonds (distance) P-C4' energy: -88.725 flat angles C4'-P-C4' energy: -82.289 flat angles P-C4'-P energy: -57.643 tors. eta vs tors. theta energy: -51.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -487.805861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.805861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.805861 (E_RNA) where: Base-Base interactions energy: -224.379 where: short stacking energy: -129.505 Base-Backbone interact. energy: -1.770 local terms energy: -261.657142 where: bonds (distance) C4'-P energy: -67.445 bonds (distance) P-C4' energy: -85.254 flat angles C4'-P-C4' energy: -75.395 flat angles P-C4'-P energy: -36.117 tors. eta vs tors. theta energy: 2.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -418.378160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.378160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.378160 (E_RNA) where: Base-Base interactions energy: -149.794 where: short stacking energy: -115.283 Base-Backbone interact. energy: -2.277 local terms energy: -266.307130 where: bonds (distance) C4'-P energy: -95.793 bonds (distance) P-C4' energy: -78.749 flat angles C4'-P-C4' energy: -72.033 flat angles P-C4'-P energy: -31.469 tors. eta vs tors. theta energy: 11.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1716.159626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.159626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.159626 (E_RNA) where: Base-Base interactions energy: -1168.825 where: short stacking energy: -519.009 Base-Backbone interact. energy: -2.191 local terms energy: -545.143647 where: bonds (distance) C4'-P energy: -95.035 bonds (distance) P-C4' energy: -99.445 flat angles C4'-P-C4' energy: -106.566 flat angles P-C4'-P energy: -85.160 tors. eta vs tors. theta energy: -158.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1626.111030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.111030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.111030 (E_RNA) where: Base-Base interactions energy: -1130.895 where: short stacking energy: -493.455 Base-Backbone interact. energy: -1.466 local terms energy: -493.750165 where: bonds (distance) C4'-P energy: -85.638 bonds (distance) P-C4' energy: -87.823 flat angles C4'-P-C4' energy: -100.982 flat angles P-C4'-P energy: -82.670 tors. eta vs tors. theta energy: -136.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1491.146243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.146243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.146243 (E_RNA) where: Base-Base interactions energy: -1014.107 where: short stacking energy: -447.473 Base-Backbone interact. energy: -3.673 local terms energy: -473.365540 where: bonds (distance) C4'-P energy: -91.933 bonds (distance) P-C4' energy: -85.157 flat angles C4'-P-C4' energy: -104.007 flat angles P-C4'-P energy: -70.185 tors. eta vs tors. theta energy: -122.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1462.421812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.421812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.421812 (E_RNA) where: Base-Base interactions energy: -992.215 where: short stacking energy: -457.758 Base-Backbone interact. energy: -1.246 local terms energy: -468.960772 where: bonds (distance) C4'-P energy: -86.875 bonds (distance) P-C4' energy: -98.010 flat angles C4'-P-C4' energy: -91.890 flat angles P-C4'-P energy: -59.508 tors. eta vs tors. theta energy: -132.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -1358.669763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.669763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.669763 (E_RNA) where: Base-Base interactions energy: -910.577 where: short stacking energy: -395.797 Base-Backbone interact. energy: -1.481 local terms energy: -446.611972 where: bonds (distance) C4'-P energy: -89.068 bonds (distance) P-C4' energy: -93.222 flat angles C4'-P-C4' energy: -96.342 flat angles P-C4'-P energy: -63.629 tors. eta vs tors. theta energy: -104.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1282.364188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.364188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.364188 (E_RNA) where: Base-Base interactions energy: -847.478 where: short stacking energy: -384.620 Base-Backbone interact. energy: -1.217 local terms energy: -433.670063 where: bonds (distance) C4'-P energy: -85.841 bonds (distance) P-C4' energy: -92.396 flat angles C4'-P-C4' energy: -97.089 flat angles P-C4'-P energy: -58.287 tors. eta vs tors. theta energy: -100.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1120.069827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.069827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.069827 (E_RNA) where: Base-Base interactions energy: -750.594 where: short stacking energy: -369.034 Base-Backbone interact. energy: 0.285 local terms energy: -369.761366 where: bonds (distance) C4'-P energy: -71.468 bonds (distance) P-C4' energy: -67.010 flat angles C4'-P-C4' energy: -81.384 flat angles P-C4'-P energy: -55.086 tors. eta vs tors. theta energy: -94.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -867.967742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.967742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.967742 (E_RNA) where: Base-Base interactions energy: -532.222 where: short stacking energy: -260.249 Base-Backbone interact. energy: -0.804 local terms energy: -334.941279 where: bonds (distance) C4'-P energy: -55.756 bonds (distance) P-C4' energy: -84.244 flat angles C4'-P-C4' energy: -74.420 flat angles P-C4'-P energy: -53.048 tors. eta vs tors. theta energy: -67.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -602.087170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.087170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.087170 (E_RNA) where: Base-Base interactions energy: -299.008 where: short stacking energy: -172.726 Base-Backbone interact. energy: 1.957 local terms energy: -305.036687 where: bonds (distance) C4'-P energy: -78.409 bonds (distance) P-C4' energy: -76.760 flat angles C4'-P-C4' energy: -85.873 flat angles P-C4'-P energy: -51.240 tors. eta vs tors. theta energy: -12.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -377.522557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.522557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.522557 (E_RNA) where: Base-Base interactions energy: -128.151 where: short stacking energy: -107.303 Base-Backbone interact. energy: -0.356 local terms energy: -249.015955 where: bonds (distance) C4'-P energy: -75.123 bonds (distance) P-C4' energy: -81.814 flat angles C4'-P-C4' energy: -62.475 flat angles P-C4'-P energy: -32.752 tors. eta vs tors. theta energy: 3.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1715.673499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.673499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.673499 (E_RNA) where: Base-Base interactions energy: -1169.494 where: short stacking energy: -509.323 Base-Backbone interact. energy: -0.701 local terms energy: -545.478883 where: bonds (distance) C4'-P energy: -97.389 bonds (distance) P-C4' energy: -98.257 flat angles C4'-P-C4' energy: -108.486 flat angles P-C4'-P energy: -75.548 tors. eta vs tors. theta energy: -165.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1606.470349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.470349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.470349 (E_RNA) where: Base-Base interactions energy: -1099.298 where: short stacking energy: -482.775 Base-Backbone interact. energy: -3.122 local terms energy: -504.050542 where: bonds (distance) C4'-P energy: -95.217 bonds (distance) P-C4' energy: -89.387 flat angles C4'-P-C4' energy: -102.538 flat angles P-C4'-P energy: -73.944 tors. eta vs tors. theta energy: -142.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1511.236752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.236752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.236752 (E_RNA) where: Base-Base interactions energy: -1056.635 where: short stacking energy: -438.905 Base-Backbone interact. energy: -2.167 local terms energy: -452.435096 where: bonds (distance) C4'-P energy: -80.603 bonds (distance) P-C4' energy: -87.590 flat angles C4'-P-C4' energy: -101.922 flat angles P-C4'-P energy: -67.248 tors. eta vs tors. theta energy: -115.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1453.659793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.659793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.659793 (E_RNA) where: Base-Base interactions energy: -973.254 where: short stacking energy: -447.047 Base-Backbone interact. energy: -1.779 local terms energy: -478.627184 where: bonds (distance) C4'-P energy: -90.232 bonds (distance) P-C4' energy: -91.459 flat angles C4'-P-C4' energy: -106.411 flat angles P-C4'-P energy: -62.770 tors. eta vs tors. theta energy: -127.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1365.347066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.347066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.347066 (E_RNA) where: Base-Base interactions energy: -932.515 where: short stacking energy: -417.827 Base-Backbone interact. energy: 3.257 local terms energy: -436.089323 where: bonds (distance) C4'-P energy: -85.469 bonds (distance) P-C4' energy: -72.660 flat angles C4'-P-C4' energy: -94.147 flat angles P-C4'-P energy: -71.324 tors. eta vs tors. theta energy: -112.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1277.672784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.672784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.672784 (E_RNA) where: Base-Base interactions energy: -827.688 where: short stacking energy: -375.692 Base-Backbone interact. energy: -1.339 local terms energy: -448.645421 where: bonds (distance) C4'-P energy: -88.334 bonds (distance) P-C4' energy: -86.733 flat angles C4'-P-C4' energy: -94.974 flat angles P-C4'-P energy: -73.466 tors. eta vs tors. theta energy: -105.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1102.859043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.859043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.859043 (E_RNA) where: Base-Base interactions energy: -706.862 where: short stacking energy: -348.651 Base-Backbone interact. energy: 1.203 local terms energy: -397.199778 where: bonds (distance) C4'-P energy: -70.185 bonds (distance) P-C4' energy: -81.248 flat angles C4'-P-C4' energy: -85.941 flat angles P-C4'-P energy: -67.706 tors. eta vs tors. theta energy: -92.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -852.119418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.119418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.119418 (E_RNA) where: Base-Base interactions energy: -521.437 where: short stacking energy: -271.307 Base-Backbone interact. energy: 0.097 local terms energy: -330.779168 where: bonds (distance) C4'-P energy: -66.311 bonds (distance) P-C4' energy: -86.127 flat angles C4'-P-C4' energy: -74.338 flat angles P-C4'-P energy: -53.113 tors. eta vs tors. theta energy: -50.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -581.593277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.593277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.593277 (E_RNA) where: Base-Base interactions energy: -309.018 where: short stacking energy: -176.999 Base-Backbone interact. energy: 2.016 local terms energy: -274.591928 where: bonds (distance) C4'-P energy: -75.218 bonds (distance) P-C4' energy: -77.421 flat angles C4'-P-C4' energy: -57.955 flat angles P-C4'-P energy: -41.822 tors. eta vs tors. theta energy: -22.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -383.705636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.705636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.705636 (E_RNA) where: Base-Base interactions energy: -132.144 where: short stacking energy: -103.201 Base-Backbone interact. energy: -0.548 local terms energy: -251.014087 where: bonds (distance) C4'-P energy: -77.242 bonds (distance) P-C4' energy: -84.399 flat angles C4'-P-C4' energy: -60.725 flat angles P-C4'-P energy: -38.548 tors. eta vs tors. theta energy: 9.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1718.236402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.236402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.236402 (E_RNA) where: Base-Base interactions energy: -1156.850 where: short stacking energy: -510.769 Base-Backbone interact. energy: -5.722 local terms energy: -555.665157 where: bonds (distance) C4'-P energy: -106.084 bonds (distance) P-C4' energy: -102.948 flat angles C4'-P-C4' energy: -101.847 flat angles P-C4'-P energy: -80.953 tors. eta vs tors. theta energy: -163.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1607.558250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.558250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.558250 (E_RNA) where: Base-Base interactions energy: -1108.184 where: short stacking energy: -501.999 Base-Backbone interact. energy: -0.512 local terms energy: -498.861658 where: bonds (distance) C4'-P energy: -87.706 bonds (distance) P-C4' energy: -86.900 flat angles C4'-P-C4' energy: -106.839 flat angles P-C4'-P energy: -71.369 tors. eta vs tors. theta energy: -146.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1516.928705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.928705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.928705 (E_RNA) where: Base-Base interactions energy: -1040.794 where: short stacking energy: -455.760 Base-Backbone interact. energy: -1.480 local terms energy: -474.654791 where: bonds (distance) C4'-P energy: -89.559 bonds (distance) P-C4' energy: -83.585 flat angles C4'-P-C4' energy: -98.445 flat angles P-C4'-P energy: -70.009 tors. eta vs tors. theta energy: -133.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1459.757704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.757704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.757704 (E_RNA) where: Base-Base interactions energy: -1020.981 where: short stacking energy: -452.614 Base-Backbone interact. energy: -0.451 local terms energy: -438.325831 where: bonds (distance) C4'-P energy: -79.700 bonds (distance) P-C4' energy: -90.613 flat angles C4'-P-C4' energy: -88.603 flat angles P-C4'-P energy: -57.779 tors. eta vs tors. theta energy: -121.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1372.716445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.716445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.716445 (E_RNA) where: Base-Base interactions energy: -927.646 where: short stacking energy: -412.840 Base-Backbone interact. energy: -2.874 local terms energy: -442.195772 where: bonds (distance) C4'-P energy: -74.201 bonds (distance) P-C4' energy: -84.192 flat angles C4'-P-C4' energy: -91.783 flat angles P-C4'-P energy: -72.951 tors. eta vs tors. theta energy: -119.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1263.588221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.588221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.588221 (E_RNA) where: Base-Base interactions energy: -850.977 where: short stacking energy: -369.121 Base-Backbone interact. energy: -1.637 local terms energy: -410.974320 where: bonds (distance) C4'-P energy: -89.380 bonds (distance) P-C4' energy: -83.180 flat angles C4'-P-C4' energy: -83.549 flat angles P-C4'-P energy: -48.236 tors. eta vs tors. theta energy: -106.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1095.697607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.697607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.697607 (E_RNA) where: Base-Base interactions energy: -721.892 where: short stacking energy: -357.204 Base-Backbone interact. energy: -1.325 local terms energy: -372.480882 where: bonds (distance) C4'-P energy: -72.556 bonds (distance) P-C4' energy: -75.504 flat angles C4'-P-C4' energy: -73.144 flat angles P-C4'-P energy: -58.523 tors. eta vs tors. theta energy: -92.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -890.711368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.711368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.711368 (E_RNA) where: Base-Base interactions energy: -557.365 where: short stacking energy: -249.157 Base-Backbone interact. energy: -1.400 local terms energy: -331.946434 where: bonds (distance) C4'-P energy: -75.860 bonds (distance) P-C4' energy: -79.442 flat angles C4'-P-C4' energy: -68.396 flat angles P-C4'-P energy: -48.060 tors. eta vs tors. theta energy: -60.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -540.470224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.470224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.470224 (E_RNA) where: Base-Base interactions energy: -236.583 where: short stacking energy: -153.036 Base-Backbone interact. energy: -2.191 local terms energy: -301.696325 where: bonds (distance) C4'-P energy: -76.763 bonds (distance) P-C4' energy: -97.103 flat angles C4'-P-C4' energy: -76.793 flat angles P-C4'-P energy: -39.282 tors. eta vs tors. theta energy: -11.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -414.506084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.506084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.506084 (E_RNA) where: Base-Base interactions energy: -157.972 where: short stacking energy: -120.407 Base-Backbone interact. energy: -4.519 local terms energy: -252.015640 where: bonds (distance) C4'-P energy: -76.530 bonds (distance) P-C4' energy: -70.606 flat angles C4'-P-C4' energy: -76.730 flat angles P-C4'-P energy: -43.341 tors. eta vs tors. theta energy: 15.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1722.488819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.488819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.488819 (E_RNA) where: Base-Base interactions energy: -1184.170 where: short stacking energy: -534.047 Base-Backbone interact. energy: -3.578 local terms energy: -534.740906 where: bonds (distance) C4'-P energy: -87.646 bonds (distance) P-C4' energy: -90.203 flat angles C4'-P-C4' energy: -107.017 flat angles P-C4'-P energy: -79.016 tors. eta vs tors. theta energy: -170.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1609.978783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.978783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.978783 (E_RNA) where: Base-Base interactions energy: -1117.681 where: short stacking energy: -475.988 Base-Backbone interact. energy: -1.297 local terms energy: -491.001126 where: bonds (distance) C4'-P energy: -93.355 bonds (distance) P-C4' energy: -86.105 flat angles C4'-P-C4' energy: -103.646 flat angles P-C4'-P energy: -59.462 tors. eta vs tors. theta energy: -148.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1503.928378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.928378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.928378 (E_RNA) where: Base-Base interactions energy: -1041.581 where: short stacking energy: -442.289 Base-Backbone interact. energy: -2.864 local terms energy: -459.484033 where: bonds (distance) C4'-P energy: -80.861 bonds (distance) P-C4' energy: -84.683 flat angles C4'-P-C4' energy: -102.118 flat angles P-C4'-P energy: -68.396 tors. eta vs tors. theta energy: -123.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1423.066305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.066305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.066305 (E_RNA) where: Base-Base interactions energy: -947.234 where: short stacking energy: -422.766 Base-Backbone interact. energy: -1.044 local terms energy: -474.788332 where: bonds (distance) C4'-P energy: -87.113 bonds (distance) P-C4' energy: -96.312 flat angles C4'-P-C4' energy: -99.590 flat angles P-C4'-P energy: -70.536 tors. eta vs tors. theta energy: -121.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1389.313409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.313409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.313409 (E_RNA) where: Base-Base interactions energy: -918.514 where: short stacking energy: -429.323 Base-Backbone interact. energy: -1.363 local terms energy: -469.435972 where: bonds (distance) C4'-P energy: -72.336 bonds (distance) P-C4' energy: -100.539 flat angles C4'-P-C4' energy: -98.939 flat angles P-C4'-P energy: -63.831 tors. eta vs tors. theta energy: -133.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1263.660810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.660810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.660810 (E_RNA) where: Base-Base interactions energy: -846.309 where: short stacking energy: -384.692 Base-Backbone interact. energy: -5.507 local terms energy: -411.845187 where: bonds (distance) C4'-P energy: -75.469 bonds (distance) P-C4' energy: -77.985 flat angles C4'-P-C4' energy: -90.500 flat angles P-C4'-P energy: -59.487 tors. eta vs tors. theta energy: -108.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1054.428561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.428561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.428561 (E_RNA) where: Base-Base interactions energy: -666.268 where: short stacking energy: -323.447 Base-Backbone interact. energy: 0.142 local terms energy: -388.302163 where: bonds (distance) C4'-P energy: -79.620 bonds (distance) P-C4' energy: -87.498 flat angles C4'-P-C4' energy: -79.746 flat angles P-C4'-P energy: -55.863 tors. eta vs tors. theta energy: -85.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -912.625097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.625097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.625097 (E_RNA) where: Base-Base interactions energy: -563.667 where: short stacking energy: -276.789 Base-Backbone interact. energy: -0.567 local terms energy: -348.390793 where: bonds (distance) C4'-P energy: -74.397 bonds (distance) P-C4' energy: -76.156 flat angles C4'-P-C4' energy: -87.195 flat angles P-C4'-P energy: -53.295 tors. eta vs tors. theta energy: -57.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -556.532581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.532581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.532581 (E_RNA) where: Base-Base interactions energy: -260.152 where: short stacking energy: -158.836 Base-Backbone interact. energy: -2.952 local terms energy: -293.428580 where: bonds (distance) C4'-P energy: -66.449 bonds (distance) P-C4' energy: -86.949 flat angles C4'-P-C4' energy: -80.048 flat angles P-C4'-P energy: -53.051 tors. eta vs tors. theta energy: -6.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -421.259287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.259287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.259287 (E_RNA) where: Base-Base interactions energy: -161.855 where: short stacking energy: -103.909 Base-Backbone interact. energy: 3.224 local terms energy: -262.627863 where: bonds (distance) C4'-P energy: -75.802 bonds (distance) P-C4' energy: -85.251 flat angles C4'-P-C4' energy: -71.904 flat angles P-C4'-P energy: -33.569 tors. eta vs tors. theta energy: 3.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1725.783506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.783506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.783506 (E_RNA) where: Base-Base interactions energy: -1184.402 where: short stacking energy: -529.631 Base-Backbone interact. energy: 0.092 local terms energy: -541.472832 where: bonds (distance) C4'-P energy: -90.062 bonds (distance) P-C4' energy: -91.798 flat angles C4'-P-C4' energy: -112.671 flat angles P-C4'-P energy: -84.434 tors. eta vs tors. theta energy: -162.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1631.750313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.750313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.750313 (E_RNA) where: Base-Base interactions energy: -1125.791 where: short stacking energy: -499.283 Base-Backbone interact. energy: -1.673 local terms energy: -504.286451 where: bonds (distance) C4'-P energy: -90.436 bonds (distance) P-C4' energy: -92.246 flat angles C4'-P-C4' energy: -105.717 flat angles P-C4'-P energy: -73.613 tors. eta vs tors. theta energy: -142.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1485.944781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.944781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.944781 (E_RNA) where: Base-Base interactions energy: -1032.325 where: short stacking energy: -441.560 Base-Backbone interact. energy: -4.731 local terms energy: -448.888567 where: bonds (distance) C4'-P energy: -76.965 bonds (distance) P-C4' energy: -86.368 flat angles C4'-P-C4' energy: -100.755 flat angles P-C4'-P energy: -67.261 tors. eta vs tors. theta energy: -117.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1471.623000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.623000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.623000 (E_RNA) where: Base-Base interactions energy: -1005.853 where: short stacking energy: -471.546 Base-Backbone interact. energy: -1.003 local terms energy: -464.766656 where: bonds (distance) C4'-P energy: -77.688 bonds (distance) P-C4' energy: -84.943 flat angles C4'-P-C4' energy: -104.106 flat angles P-C4'-P energy: -58.888 tors. eta vs tors. theta energy: -139.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1377.305305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.305305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.305305 (E_RNA) where: Base-Base interactions energy: -934.307 where: short stacking energy: -427.988 Base-Backbone interact. energy: -2.583 local terms energy: -440.415096 where: bonds (distance) C4'-P energy: -82.824 bonds (distance) P-C4' energy: -78.003 flat angles C4'-P-C4' energy: -97.062 flat angles P-C4'-P energy: -61.593 tors. eta vs tors. theta energy: -120.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1258.505601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.505601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.505601 (E_RNA) where: Base-Base interactions energy: -846.160 where: short stacking energy: -394.705 Base-Backbone interact. energy: 1.107 local terms energy: -413.452517 where: bonds (distance) C4'-P energy: -76.339 bonds (distance) P-C4' energy: -87.680 flat angles C4'-P-C4' energy: -92.380 flat angles P-C4'-P energy: -53.440 tors. eta vs tors. theta energy: -103.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1099.988004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.988004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.988004 (E_RNA) where: Base-Base interactions energy: -707.606 where: short stacking energy: -354.273 Base-Backbone interact. energy: -1.911 local terms energy: -390.470795 where: bonds (distance) C4'-P energy: -70.757 bonds (distance) P-C4' energy: -69.540 flat angles C4'-P-C4' energy: -90.333 flat angles P-C4'-P energy: -54.842 tors. eta vs tors. theta energy: -104.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -911.437001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.437001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.437001 (E_RNA) where: Base-Base interactions energy: -559.686 where: short stacking energy: -270.246 Base-Backbone interact. energy: -3.921 local terms energy: -347.830755 where: bonds (distance) C4'-P energy: -94.761 bonds (distance) P-C4' energy: -68.821 flat angles C4'-P-C4' energy: -78.797 flat angles P-C4'-P energy: -60.069 tors. eta vs tors. theta energy: -45.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -515.470949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.470949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.470949 (E_RNA) where: Base-Base interactions energy: -262.488 where: short stacking energy: -165.823 Base-Backbone interact. energy: -0.029 local terms energy: -252.954457 where: bonds (distance) C4'-P energy: -67.801 bonds (distance) P-C4' energy: -74.616 flat angles C4'-P-C4' energy: -70.553 flat angles P-C4'-P energy: -33.541 tors. eta vs tors. theta energy: -6.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -425.700476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.700476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.700476 (E_RNA) where: Base-Base interactions energy: -179.670 where: short stacking energy: -125.963 Base-Backbone interact. energy: 0.987 local terms energy: -247.017143 where: bonds (distance) C4'-P energy: -70.047 bonds (distance) P-C4' energy: -79.354 flat angles C4'-P-C4' energy: -68.230 flat angles P-C4'-P energy: -40.953 tors. eta vs tors. theta energy: 11.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1710.512035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.512035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.512035 (E_RNA) where: Base-Base interactions energy: -1185.665 where: short stacking energy: -517.285 Base-Backbone interact. energy: -2.351 local terms energy: -522.495919 where: bonds (distance) C4'-P energy: -88.058 bonds (distance) P-C4' energy: -97.183 flat angles C4'-P-C4' energy: -113.031 flat angles P-C4'-P energy: -62.546 tors. eta vs tors. theta energy: -161.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1624.632605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.632605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.632605 (E_RNA) where: Base-Base interactions energy: -1123.956 where: short stacking energy: -481.935 Base-Backbone interact. energy: -0.695 local terms energy: -499.981721 where: bonds (distance) C4'-P energy: -86.553 bonds (distance) P-C4' energy: -94.246 flat angles C4'-P-C4' energy: -105.261 flat angles P-C4'-P energy: -72.432 tors. eta vs tors. theta energy: -141.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1533.806347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.806347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.806347 (E_RNA) where: Base-Base interactions energy: -1067.352 where: short stacking energy: -473.067 Base-Backbone interact. energy: -3.475 local terms energy: -462.979391 where: bonds (distance) C4'-P energy: -85.669 bonds (distance) P-C4' energy: -92.376 flat angles C4'-P-C4' energy: -88.161 flat angles P-C4'-P energy: -57.476 tors. eta vs tors. theta energy: -139.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1428.127978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.127978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.127978 (E_RNA) where: Base-Base interactions energy: -952.366 where: short stacking energy: -440.510 Base-Backbone interact. energy: -1.542 local terms energy: -474.220087 where: bonds (distance) C4'-P energy: -91.700 bonds (distance) P-C4' energy: -85.236 flat angles C4'-P-C4' energy: -98.786 flat angles P-C4'-P energy: -63.547 tors. eta vs tors. theta energy: -134.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1361.348025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.348025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.348025 (E_RNA) where: Base-Base interactions energy: -925.025 where: short stacking energy: -406.391 Base-Backbone interact. energy: -1.172 local terms energy: -435.150256 where: bonds (distance) C4'-P energy: -75.846 bonds (distance) P-C4' energy: -85.894 flat angles C4'-P-C4' energy: -99.206 flat angles P-C4'-P energy: -58.372 tors. eta vs tors. theta energy: -115.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1233.196240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.196240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.196240 (E_RNA) where: Base-Base interactions energy: -821.966 where: short stacking energy: -355.379 Base-Backbone interact. energy: 0.270 local terms energy: -411.500260 where: bonds (distance) C4'-P energy: -81.269 bonds (distance) P-C4' energy: -88.517 flat angles C4'-P-C4' energy: -88.794 flat angles P-C4'-P energy: -48.999 tors. eta vs tors. theta energy: -103.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1052.745703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.745703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.745703 (E_RNA) where: Base-Base interactions energy: -653.675 where: short stacking energy: -319.337 Base-Backbone interact. energy: -2.701 local terms energy: -396.370111 where: bonds (distance) C4'-P energy: -79.331 bonds (distance) P-C4' energy: -89.425 flat angles C4'-P-C4' energy: -100.288 flat angles P-C4'-P energy: -53.970 tors. eta vs tors. theta energy: -73.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -863.289551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.289551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.289551 (E_RNA) where: Base-Base interactions energy: -529.018 where: short stacking energy: -240.142 Base-Backbone interact. energy: -0.051 local terms energy: -334.219847 where: bonds (distance) C4'-P energy: -88.500 bonds (distance) P-C4' energy: -76.014 flat angles C4'-P-C4' energy: -84.121 flat angles P-C4'-P energy: -48.107 tors. eta vs tors. theta energy: -37.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -531.244159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.244159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.244159 (E_RNA) where: Base-Base interactions energy: -247.845 where: short stacking energy: -135.395 Base-Backbone interact. energy: -0.754 local terms energy: -282.645705 where: bonds (distance) C4'-P energy: -84.915 bonds (distance) P-C4' energy: -98.483 flat angles C4'-P-C4' energy: -72.443 flat angles P-C4'-P energy: -27.689 tors. eta vs tors. theta energy: 0.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -388.818653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.818653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.818653 (E_RNA) where: Base-Base interactions energy: -169.419 where: short stacking energy: -121.054 Base-Backbone interact. energy: 0.388 local terms energy: -219.787586 where: bonds (distance) C4'-P energy: -66.349 bonds (distance) P-C4' energy: -80.629 flat angles C4'-P-C4' energy: -42.007 flat angles P-C4'-P energy: -36.450 tors. eta vs tors. theta energy: 5.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1704.020942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.020942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.020942 (E_RNA) where: Base-Base interactions energy: -1162.609 where: short stacking energy: -516.527 Base-Backbone interact. energy: -1.693 local terms energy: -539.719337 where: bonds (distance) C4'-P energy: -87.820 bonds (distance) P-C4' energy: -98.983 flat angles C4'-P-C4' energy: -110.563 flat angles P-C4'-P energy: -74.964 tors. eta vs tors. theta energy: -167.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1618.680451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.680451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.680451 (E_RNA) where: Base-Base interactions energy: -1122.189 where: short stacking energy: -469.825 Base-Backbone interact. energy: -0.617 local terms energy: -495.874541 where: bonds (distance) C4'-P energy: -90.101 bonds (distance) P-C4' energy: -86.378 flat angles C4'-P-C4' energy: -105.862 flat angles P-C4'-P energy: -68.729 tors. eta vs tors. theta energy: -144.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1515.741542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.741542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.741542 (E_RNA) where: Base-Base interactions energy: -1046.658 where: short stacking energy: -462.499 Base-Backbone interact. energy: -1.426 local terms energy: -467.657765 where: bonds (distance) C4'-P energy: -78.378 bonds (distance) P-C4' energy: -87.855 flat angles C4'-P-C4' energy: -98.015 flat angles P-C4'-P energy: -68.041 tors. eta vs tors. theta energy: -135.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1448.632265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.632265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.632265 (E_RNA) where: Base-Base interactions energy: -991.446 where: short stacking energy: -430.049 Base-Backbone interact. energy: -1.795 local terms energy: -455.391863 where: bonds (distance) C4'-P energy: -83.508 bonds (distance) P-C4' energy: -80.412 flat angles C4'-P-C4' energy: -96.100 flat angles P-C4'-P energy: -62.806 tors. eta vs tors. theta energy: -132.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -1359.752287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.752287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.752287 (E_RNA) where: Base-Base interactions energy: -919.277 where: short stacking energy: -385.522 Base-Backbone interact. energy: 0.785 local terms energy: -441.260069 where: bonds (distance) C4'-P energy: -84.312 bonds (distance) P-C4' energy: -88.264 flat angles C4'-P-C4' energy: -95.355 flat angles P-C4'-P energy: -57.154 tors. eta vs tors. theta energy: -116.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1220.159783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.159783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.159783 (E_RNA) where: Base-Base interactions energy: -809.489 where: short stacking energy: -355.864 Base-Backbone interact. energy: -2.540 local terms energy: -408.130869 where: bonds (distance) C4'-P energy: -72.600 bonds (distance) P-C4' energy: -85.893 flat angles C4'-P-C4' energy: -101.759 flat angles P-C4'-P energy: -57.150 tors. eta vs tors. theta energy: -90.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1072.451778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.451778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.451778 (E_RNA) where: Base-Base interactions energy: -681.232 where: short stacking energy: -322.982 Base-Backbone interact. energy: -1.384 local terms energy: -389.836272 where: bonds (distance) C4'-P energy: -76.541 bonds (distance) P-C4' energy: -81.713 flat angles C4'-P-C4' energy: -86.349 flat angles P-C4'-P energy: -64.799 tors. eta vs tors. theta energy: -80.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -856.828475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.828475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.828475 (E_RNA) where: Base-Base interactions energy: -541.558 where: short stacking energy: -252.404 Base-Backbone interact. energy: -0.087 local terms energy: -315.183175 where: bonds (distance) C4'-P energy: -69.554 bonds (distance) P-C4' energy: -87.723 flat angles C4'-P-C4' energy: -78.663 flat angles P-C4'-P energy: -46.217 tors. eta vs tors. theta energy: -33.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -538.666715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.666715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.666715 (E_RNA) where: Base-Base interactions energy: -296.436 where: short stacking energy: -149.228 Base-Backbone interact. energy: -0.481 local terms energy: -241.749975 where: bonds (distance) C4'-P energy: -69.271 bonds (distance) P-C4' energy: -86.362 flat angles C4'-P-C4' energy: -68.750 flat angles P-C4'-P energy: -24.458 tors. eta vs tors. theta energy: 7.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -371.629517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.629517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.629517 (E_RNA) where: Base-Base interactions energy: -134.876 where: short stacking energy: -109.197 Base-Backbone interact. energy: -1.134 local terms energy: -235.619194 where: bonds (distance) C4'-P energy: -65.149 bonds (distance) P-C4' energy: -72.494 flat angles C4'-P-C4' energy: -74.610 flat angles P-C4'-P energy: -38.138 tors. eta vs tors. theta energy: 14.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1717.799295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.799295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.799295 (E_RNA) where: Base-Base interactions energy: -1172.824 where: short stacking energy: -513.847 Base-Backbone interact. energy: -1.400 local terms energy: -543.574902 where: bonds (distance) C4'-P energy: -99.145 bonds (distance) P-C4' energy: -98.095 flat angles C4'-P-C4' energy: -110.551 flat angles P-C4'-P energy: -76.549 tors. eta vs tors. theta energy: -159.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1620.896630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.896630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.896630 (E_RNA) where: Base-Base interactions energy: -1143.219 where: short stacking energy: -501.138 Base-Backbone interact. energy: -0.362 local terms energy: -477.316389 where: bonds (distance) C4'-P energy: -75.178 bonds (distance) P-C4' energy: -94.559 flat angles C4'-P-C4' energy: -103.390 flat angles P-C4'-P energy: -67.423 tors. eta vs tors. theta energy: -136.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1503.764454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.764454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.764454 (E_RNA) where: Base-Base interactions energy: -1030.440 where: short stacking energy: -432.798 Base-Backbone interact. energy: -1.648 local terms energy: -471.676206 where: bonds (distance) C4'-P energy: -95.487 bonds (distance) P-C4' energy: -92.160 flat angles C4'-P-C4' energy: -87.208 flat angles P-C4'-P energy: -65.968 tors. eta vs tors. theta energy: -130.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1452.116600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.116600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.116600 (E_RNA) where: Base-Base interactions energy: -994.999 where: short stacking energy: -448.312 Base-Backbone interact. energy: -0.213 local terms energy: -456.904660 where: bonds (distance) C4'-P energy: -89.170 bonds (distance) P-C4' energy: -93.122 flat angles C4'-P-C4' energy: -93.532 flat angles P-C4'-P energy: -46.168 tors. eta vs tors. theta energy: -134.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1414.434680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.434680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.434680 (E_RNA) where: Base-Base interactions energy: -975.053 where: short stacking energy: -407.950 Base-Backbone interact. energy: -1.549 local terms energy: -437.833069 where: bonds (distance) C4'-P energy: -90.932 bonds (distance) P-C4' energy: -93.371 flat angles C4'-P-C4' energy: -74.979 flat angles P-C4'-P energy: -54.818 tors. eta vs tors. theta energy: -123.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1307.578640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.578640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.578640 (E_RNA) where: Base-Base interactions energy: -907.431 where: short stacking energy: -422.685 Base-Backbone interact. energy: 1.402 local terms energy: -401.549787 where: bonds (distance) C4'-P energy: -78.335 bonds (distance) P-C4' energy: -80.401 flat angles C4'-P-C4' energy: -82.663 flat angles P-C4'-P energy: -58.298 tors. eta vs tors. theta energy: -101.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1076.253871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.253871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.253871 (E_RNA) where: Base-Base interactions energy: -671.335 where: short stacking energy: -310.841 Base-Backbone interact. energy: -0.859 local terms energy: -404.059286 where: bonds (distance) C4'-P energy: -77.954 bonds (distance) P-C4' energy: -93.372 flat angles C4'-P-C4' energy: -86.774 flat angles P-C4'-P energy: -63.289 tors. eta vs tors. theta energy: -82.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -846.878375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.878375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.878375 (E_RNA) where: Base-Base interactions energy: -517.363 where: short stacking energy: -242.692 Base-Backbone interact. energy: -1.258 local terms energy: -328.256954 where: bonds (distance) C4'-P energy: -81.833 bonds (distance) P-C4' energy: -93.475 flat angles C4'-P-C4' energy: -70.061 flat angles P-C4'-P energy: -44.990 tors. eta vs tors. theta energy: -37.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -534.709816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.709816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.709816 (E_RNA) where: Base-Base interactions energy: -293.209 where: short stacking energy: -158.723 Base-Backbone interact. energy: 2.814 local terms energy: -244.314938 where: bonds (distance) C4'-P energy: -65.714 bonds (distance) P-C4' energy: -62.524 flat angles C4'-P-C4' energy: -58.961 flat angles P-C4'-P energy: -46.512 tors. eta vs tors. theta energy: -10.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -381.697679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.697679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.697679 (E_RNA) where: Base-Base interactions energy: -126.349 where: short stacking energy: -89.874 Base-Backbone interact. energy: 6.333 local terms energy: -261.682446 where: bonds (distance) C4'-P energy: -73.885 bonds (distance) P-C4' energy: -80.434 flat angles C4'-P-C4' energy: -70.755 flat angles P-C4'-P energy: -36.415 tors. eta vs tors. theta energy: -0.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1710.984542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.984542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.984542 (E_RNA) where: Base-Base interactions energy: -1167.630 where: short stacking energy: -512.764 Base-Backbone interact. energy: -2.794 local terms energy: -540.560708 where: bonds (distance) C4'-P energy: -94.002 bonds (distance) P-C4' energy: -95.504 flat angles C4'-P-C4' energy: -109.314 flat angles P-C4'-P energy: -79.336 tors. eta vs tors. theta energy: -162.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1618.799880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.799880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.799880 (E_RNA) where: Base-Base interactions energy: -1115.519 where: short stacking energy: -480.247 Base-Backbone interact. energy: -4.230 local terms energy: -499.050712 where: bonds (distance) C4'-P energy: -93.992 bonds (distance) P-C4' energy: -100.959 flat angles C4'-P-C4' energy: -94.428 flat angles P-C4'-P energy: -67.944 tors. eta vs tors. theta energy: -141.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1488.925820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.925820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.925820 (E_RNA) where: Base-Base interactions energy: -1013.184 where: short stacking energy: -430.158 Base-Backbone interact. energy: -0.001 local terms energy: -475.741492 where: bonds (distance) C4'-P energy: -74.466 bonds (distance) P-C4' energy: -96.169 flat angles C4'-P-C4' energy: -99.459 flat angles P-C4'-P energy: -78.257 tors. eta vs tors. theta energy: -127.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1453.175491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.175491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.175491 (E_RNA) where: Base-Base interactions energy: -995.939 where: short stacking energy: -438.998 Base-Backbone interact. energy: -0.861 local terms energy: -456.375506 where: bonds (distance) C4'-P energy: -79.458 bonds (distance) P-C4' energy: -89.794 flat angles C4'-P-C4' energy: -103.617 flat angles P-C4'-P energy: -64.205 tors. eta vs tors. theta energy: -119.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1462.869428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.869428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.869428 (E_RNA) where: Base-Base interactions energy: -1009.956 where: short stacking energy: -425.357 Base-Backbone interact. energy: -2.412 local terms energy: -450.501263 where: bonds (distance) C4'-P energy: -94.106 bonds (distance) P-C4' energy: -86.536 flat angles C4'-P-C4' energy: -86.111 flat angles P-C4'-P energy: -66.832 tors. eta vs tors. theta energy: -116.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1256.591948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.591948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.591948 (E_RNA) where: Base-Base interactions energy: -859.401 where: short stacking energy: -381.478 Base-Backbone interact. energy: -0.631 local terms energy: -396.560321 where: bonds (distance) C4'-P energy: -76.549 bonds (distance) P-C4' energy: -82.731 flat angles C4'-P-C4' energy: -89.200 flat angles P-C4'-P energy: -52.243 tors. eta vs tors. theta energy: -95.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1112.625665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.625665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.625665 (E_RNA) where: Base-Base interactions energy: -732.083 where: short stacking energy: -337.182 Base-Backbone interact. energy: -1.513 local terms energy: -379.029485 where: bonds (distance) C4'-P energy: -80.216 bonds (distance) P-C4' energy: -86.837 flat angles C4'-P-C4' energy: -84.475 flat angles P-C4'-P energy: -45.516 tors. eta vs tors. theta energy: -81.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -853.150621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.150621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.150621 (E_RNA) where: Base-Base interactions energy: -508.829 where: short stacking energy: -229.813 Base-Backbone interact. energy: 3.072 local terms energy: -347.394395 where: bonds (distance) C4'-P energy: -85.867 bonds (distance) P-C4' energy: -91.152 flat angles C4'-P-C4' energy: -76.836 flat angles P-C4'-P energy: -47.768 tors. eta vs tors. theta energy: -45.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -572.587584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.587584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.587584 (E_RNA) where: Base-Base interactions energy: -284.996 where: short stacking energy: -161.852 Base-Backbone interact. energy: -0.896 local terms energy: -286.695622 where: bonds (distance) C4'-P energy: -70.098 bonds (distance) P-C4' energy: -94.074 flat angles C4'-P-C4' energy: -64.776 flat angles P-C4'-P energy: -46.505 tors. eta vs tors. theta energy: -11.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -370.574348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.574348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.574348 (E_RNA) where: Base-Base interactions energy: -118.519 where: short stacking energy: -112.022 Base-Backbone interact. energy: 3.560 local terms energy: -255.615200 where: bonds (distance) C4'-P energy: -71.297 bonds (distance) P-C4' energy: -78.538 flat angles C4'-P-C4' energy: -84.452 flat angles P-C4'-P energy: -39.671 tors. eta vs tors. theta energy: 18.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1725.702524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.702524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.702524 (E_RNA) where: Base-Base interactions energy: -1190.851 where: short stacking energy: -530.218 Base-Backbone interact. energy: -1.067 local terms energy: -533.785214 where: bonds (distance) C4'-P energy: -95.751 bonds (distance) P-C4' energy: -91.256 flat angles C4'-P-C4' energy: -106.212 flat angles P-C4'-P energy: -79.935 tors. eta vs tors. theta energy: -160.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1640.281601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.281601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.281601 (E_RNA) where: Base-Base interactions energy: -1148.511 where: short stacking energy: -504.699 Base-Backbone interact. energy: -2.164 local terms energy: -489.606621 where: bonds (distance) C4'-P energy: -89.473 bonds (distance) P-C4' energy: -85.940 flat angles C4'-P-C4' energy: -106.122 flat angles P-C4'-P energy: -62.295 tors. eta vs tors. theta energy: -145.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1493.802945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.802945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.802945 (E_RNA) where: Base-Base interactions energy: -1016.873 where: short stacking energy: -463.037 Base-Backbone interact. energy: 0.768 local terms energy: -477.697409 where: bonds (distance) C4'-P energy: -94.159 bonds (distance) P-C4' energy: -84.338 flat angles C4'-P-C4' energy: -100.277 flat angles P-C4'-P energy: -61.548 tors. eta vs tors. theta energy: -137.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1448.054845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.054845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.054845 (E_RNA) where: Base-Base interactions energy: -1006.534 where: short stacking energy: -422.333 Base-Backbone interact. energy: -1.692 local terms energy: -439.828465 where: bonds (distance) C4'-P energy: -77.105 bonds (distance) P-C4' energy: -80.867 flat angles C4'-P-C4' energy: -102.199 flat angles P-C4'-P energy: -50.843 tors. eta vs tors. theta energy: -128.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1430.221150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.221150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.221150 (E_RNA) where: Base-Base interactions energy: -995.627 where: short stacking energy: -418.597 Base-Backbone interact. energy: 2.679 local terms energy: -437.273218 where: bonds (distance) C4'-P energy: -61.248 bonds (distance) P-C4' energy: -94.289 flat angles C4'-P-C4' energy: -100.427 flat angles P-C4'-P energy: -57.413 tors. eta vs tors. theta energy: -123.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1276.608939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.608939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.608939 (E_RNA) where: Base-Base interactions energy: -870.093 where: short stacking energy: -363.538 Base-Backbone interact. energy: -1.498 local terms energy: -405.017833 where: bonds (distance) C4'-P energy: -60.685 bonds (distance) P-C4' energy: -86.149 flat angles C4'-P-C4' energy: -85.275 flat angles P-C4'-P energy: -64.326 tors. eta vs tors. theta energy: -108.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1086.605981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.605981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.605981 (E_RNA) where: Base-Base interactions energy: -687.268 where: short stacking energy: -332.132 Base-Backbone interact. energy: -2.239 local terms energy: -397.098864 where: bonds (distance) C4'-P energy: -96.953 bonds (distance) P-C4' energy: -81.842 flat angles C4'-P-C4' energy: -78.037 flat angles P-C4'-P energy: -58.516 tors. eta vs tors. theta energy: -81.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -936.881325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.881325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.881325 (E_RNA) where: Base-Base interactions energy: -598.312 where: short stacking energy: -276.945 Base-Backbone interact. energy: -1.442 local terms energy: -337.126923 where: bonds (distance) C4'-P energy: -79.614 bonds (distance) P-C4' energy: -87.033 flat angles C4'-P-C4' energy: -70.495 flat angles P-C4'-P energy: -45.946 tors. eta vs tors. theta energy: -54.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -572.583432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.583432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.583432 (E_RNA) where: Base-Base interactions energy: -290.707 where: short stacking energy: -190.842 Base-Backbone interact. energy: -1.576 local terms energy: -280.300568 where: bonds (distance) C4'-P energy: -70.421 bonds (distance) P-C4' energy: -89.136 flat angles C4'-P-C4' energy: -68.924 flat angles P-C4'-P energy: -43.480 tors. eta vs tors. theta energy: -8.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -412.342032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.342032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.342032 (E_RNA) where: Base-Base interactions energy: -176.236 where: short stacking energy: -126.173 Base-Backbone interact. energy: -2.861 local terms energy: -233.244412 where: bonds (distance) C4'-P energy: -70.927 bonds (distance) P-C4' energy: -55.670 flat angles C4'-P-C4' energy: -74.134 flat angles P-C4'-P energy: -41.861 tors. eta vs tors. theta energy: 9.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1731.787339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.787339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.787339 (E_RNA) where: Base-Base interactions energy: -1196.951 where: short stacking energy: -523.795 Base-Backbone interact. energy: -2.842 local terms energy: -531.994566 where: bonds (distance) C4'-P energy: -89.554 bonds (distance) P-C4' energy: -88.216 flat angles C4'-P-C4' energy: -116.551 flat angles P-C4'-P energy: -75.221 tors. eta vs tors. theta energy: -162.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1628.002335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.002335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.002335 (E_RNA) where: Base-Base interactions energy: -1136.286 where: short stacking energy: -491.478 Base-Backbone interact. energy: -1.814 local terms energy: -489.902737 where: bonds (distance) C4'-P energy: -90.328 bonds (distance) P-C4' energy: -84.688 flat angles C4'-P-C4' energy: -102.543 flat angles P-C4'-P energy: -66.030 tors. eta vs tors. theta energy: -146.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1483.031089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.031089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.031089 (E_RNA) where: Base-Base interactions energy: -1032.460 where: short stacking energy: -442.112 Base-Backbone interact. energy: -0.704 local terms energy: -449.866786 where: bonds (distance) C4'-P energy: -88.341 bonds (distance) P-C4' energy: -80.921 flat angles C4'-P-C4' energy: -100.437 flat angles P-C4'-P energy: -62.843 tors. eta vs tors. theta energy: -117.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1468.228143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.228143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.228143 (E_RNA) where: Base-Base interactions energy: -1018.931 where: short stacking energy: -444.253 Base-Backbone interact. energy: 0.374 local terms energy: -449.670790 where: bonds (distance) C4'-P energy: -85.918 bonds (distance) P-C4' energy: -84.054 flat angles C4'-P-C4' energy: -89.868 flat angles P-C4'-P energy: -58.249 tors. eta vs tors. theta energy: -131.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1379.861592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.861592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.861592 (E_RNA) where: Base-Base interactions energy: -920.907 where: short stacking energy: -425.013 Base-Backbone interact. energy: 0.584 local terms energy: -459.539081 where: bonds (distance) C4'-P energy: -94.429 bonds (distance) P-C4' energy: -88.379 flat angles C4'-P-C4' energy: -100.129 flat angles P-C4'-P energy: -54.701 tors. eta vs tors. theta energy: -121.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1267.930263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.930263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.930263 (E_RNA) where: Base-Base interactions energy: -840.688 where: short stacking energy: -395.402 Base-Backbone interact. energy: -0.129 local terms energy: -427.112759 where: bonds (distance) C4'-P energy: -68.520 bonds (distance) P-C4' energy: -86.496 flat angles C4'-P-C4' energy: -98.229 flat angles P-C4'-P energy: -64.831 tors. eta vs tors. theta energy: -109.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1121.521023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.521023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.521023 (E_RNA) where: Base-Base interactions energy: -696.920 where: short stacking energy: -342.024 Base-Backbone interact. energy: -0.354 local terms energy: -424.247447 where: bonds (distance) C4'-P energy: -79.794 bonds (distance) P-C4' energy: -91.912 flat angles C4'-P-C4' energy: -93.491 flat angles P-C4'-P energy: -51.917 tors. eta vs tors. theta energy: -107.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -974.720008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.720008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.720008 (E_RNA) where: Base-Base interactions energy: -599.092 where: short stacking energy: -320.015 Base-Backbone interact. energy: -1.404 local terms energy: -374.223946 where: bonds (distance) C4'-P energy: -69.174 bonds (distance) P-C4' energy: -79.279 flat angles C4'-P-C4' energy: -94.429 flat angles P-C4'-P energy: -63.417 tors. eta vs tors. theta energy: -67.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -537.750495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.750495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.750495 (E_RNA) where: Base-Base interactions energy: -235.229 where: short stacking energy: -148.675 Base-Backbone interact. energy: 1.476 local terms energy: -303.997429 where: bonds (distance) C4'-P energy: -76.589 bonds (distance) P-C4' energy: -85.240 flat angles C4'-P-C4' energy: -80.970 flat angles P-C4'-P energy: -42.036 tors. eta vs tors. theta energy: -19.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -387.370533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.370533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.370533 (E_RNA) where: Base-Base interactions energy: -133.941 where: short stacking energy: -106.491 Base-Backbone interact. energy: -1.909 local terms energy: -251.520261 where: bonds (distance) C4'-P energy: -86.139 bonds (distance) P-C4' energy: -79.118 flat angles C4'-P-C4' energy: -60.074 flat angles P-C4'-P energy: -40.616 tors. eta vs tors. theta energy: 14.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1727.154634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.154634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.154634 (E_RNA) where: Base-Base interactions energy: -1164.994 where: short stacking energy: -518.300 Base-Backbone interact. energy: -3.527 local terms energy: -558.634233 where: bonds (distance) C4'-P energy: -90.823 bonds (distance) P-C4' energy: -104.444 flat angles C4'-P-C4' energy: -113.946 flat angles P-C4'-P energy: -88.055 tors. eta vs tors. theta energy: -161.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1625.696379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.696379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.696379 (E_RNA) where: Base-Base interactions energy: -1104.476 where: short stacking energy: -474.337 Base-Backbone interact. energy: -1.355 local terms energy: -519.865460 where: bonds (distance) C4'-P energy: -96.094 bonds (distance) P-C4' energy: -99.117 flat angles C4'-P-C4' energy: -106.006 flat angles P-C4'-P energy: -78.057 tors. eta vs tors. theta energy: -140.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1481.868039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.868039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.868039 (E_RNA) where: Base-Base interactions energy: -999.134 where: short stacking energy: -440.535 Base-Backbone interact. energy: -0.826 local terms energy: -481.908275 where: bonds (distance) C4'-P energy: -90.042 bonds (distance) P-C4' energy: -95.320 flat angles C4'-P-C4' energy: -85.693 flat angles P-C4'-P energy: -76.435 tors. eta vs tors. theta energy: -134.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1479.933960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.933960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.933960 (E_RNA) where: Base-Base interactions energy: -1000.594 where: short stacking energy: -419.633 Base-Backbone interact. energy: 0.645 local terms energy: -479.985206 where: bonds (distance) C4'-P energy: -86.130 bonds (distance) P-C4' energy: -81.313 flat angles C4'-P-C4' energy: -97.299 flat angles P-C4'-P energy: -77.046 tors. eta vs tors. theta energy: -138.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1413.991812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.991812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.991812 (E_RNA) where: Base-Base interactions energy: -959.735 where: short stacking energy: -411.982 Base-Backbone interact. energy: -4.062 local terms energy: -450.194914 where: bonds (distance) C4'-P energy: -91.862 bonds (distance) P-C4' energy: -82.869 flat angles C4'-P-C4' energy: -97.795 flat angles P-C4'-P energy: -55.323 tors. eta vs tors. theta energy: -122.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1192.496252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.496252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.496252 (E_RNA) where: Base-Base interactions energy: -757.684 where: short stacking energy: -364.929 Base-Backbone interact. energy: 1.424 local terms energy: -436.236533 where: bonds (distance) C4'-P energy: -96.698 bonds (distance) P-C4' energy: -89.830 flat angles C4'-P-C4' energy: -96.633 flat angles P-C4'-P energy: -49.744 tors. eta vs tors. theta energy: -103.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1119.629232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.629232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.629232 (E_RNA) where: Base-Base interactions energy: -714.877 where: short stacking energy: -348.854 Base-Backbone interact. energy: -1.632 local terms energy: -403.120294 where: bonds (distance) C4'-P energy: -72.750 bonds (distance) P-C4' energy: -95.330 flat angles C4'-P-C4' energy: -93.654 flat angles P-C4'-P energy: -53.324 tors. eta vs tors. theta energy: -88.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -928.979399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.979399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.979399 (E_RNA) where: Base-Base interactions energy: -570.754 where: short stacking energy: -280.678 Base-Backbone interact. energy: 0.568 local terms energy: -358.793051 where: bonds (distance) C4'-P energy: -71.328 bonds (distance) P-C4' energy: -72.691 flat angles C4'-P-C4' energy: -86.559 flat angles P-C4'-P energy: -52.230 tors. eta vs tors. theta energy: -75.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -577.742716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.742716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.742716 (E_RNA) where: Base-Base interactions energy: -283.066 where: short stacking energy: -167.697 Base-Backbone interact. energy: -1.713 local terms energy: -292.963788 where: bonds (distance) C4'-P energy: -72.516 bonds (distance) P-C4' energy: -76.561 flat angles C4'-P-C4' energy: -71.870 flat angles P-C4'-P energy: -49.441 tors. eta vs tors. theta energy: -22.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -376.203632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -376.203632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -376.203632 (E_RNA) where: Base-Base interactions energy: -135.814 where: short stacking energy: -107.934 Base-Backbone interact. energy: 1.723 local terms energy: -242.112513 where: bonds (distance) C4'-P energy: -71.133 bonds (distance) P-C4' energy: -76.451 flat angles C4'-P-C4' energy: -66.298 flat angles P-C4'-P energy: -34.983 tors. eta vs tors. theta energy: 6.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1718.719276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.719276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.719276 (E_RNA) where: Base-Base interactions energy: -1187.194 where: short stacking energy: -499.880 Base-Backbone interact. energy: -2.752 local terms energy: -528.772505 where: bonds (distance) C4'-P energy: -85.590 bonds (distance) P-C4' energy: -93.117 flat angles C4'-P-C4' energy: -108.537 flat angles P-C4'-P energy: -80.439 tors. eta vs tors. theta energy: -161.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1588.499020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.499020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.499020 (E_RNA) where: Base-Base interactions energy: -1116.917 where: short stacking energy: -452.420 Base-Backbone interact. energy: -1.898 local terms energy: -469.683759 where: bonds (distance) C4'-P energy: -94.290 bonds (distance) P-C4' energy: -87.342 flat angles C4'-P-C4' energy: -95.876 flat angles P-C4'-P energy: -63.134 tors. eta vs tors. theta energy: -129.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1504.361503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.361503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.361503 (E_RNA) where: Base-Base interactions energy: -1034.850 where: short stacking energy: -449.943 Base-Backbone interact. energy: -1.446 local terms energy: -468.065464 where: bonds (distance) C4'-P energy: -82.370 bonds (distance) P-C4' energy: -88.335 flat angles C4'-P-C4' energy: -95.866 flat angles P-C4'-P energy: -66.565 tors. eta vs tors. theta energy: -134.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1439.486147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.486147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.486147 (E_RNA) where: Base-Base interactions energy: -991.666 where: short stacking energy: -442.483 Base-Backbone interact. energy: -3.436 local terms energy: -444.383795 where: bonds (distance) C4'-P energy: -59.692 bonds (distance) P-C4' energy: -93.355 flat angles C4'-P-C4' energy: -95.357 flat angles P-C4'-P energy: -67.484 tors. eta vs tors. theta energy: -128.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1412.053860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.053860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.053860 (E_RNA) where: Base-Base interactions energy: -961.863 where: short stacking energy: -423.284 Base-Backbone interact. energy: -1.250 local terms energy: -448.941561 where: bonds (distance) C4'-P energy: -73.049 bonds (distance) P-C4' energy: -90.226 flat angles C4'-P-C4' energy: -98.528 flat angles P-C4'-P energy: -65.689 tors. eta vs tors. theta energy: -121.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1164.699694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.699694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.699694 (E_RNA) where: Base-Base interactions energy: -782.492 where: short stacking energy: -391.098 Base-Backbone interact. energy: 1.706 local terms energy: -383.913645 where: bonds (distance) C4'-P energy: -72.078 bonds (distance) P-C4' energy: -75.202 flat angles C4'-P-C4' energy: -73.165 flat angles P-C4'-P energy: -65.973 tors. eta vs tors. theta energy: -97.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1115.309103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.309103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.309103 (E_RNA) where: Base-Base interactions energy: -727.367 where: short stacking energy: -343.640 Base-Backbone interact. energy: -1.173 local terms energy: -386.769703 where: bonds (distance) C4'-P energy: -71.136 bonds (distance) P-C4' energy: -84.645 flat angles C4'-P-C4' energy: -88.083 flat angles P-C4'-P energy: -51.413 tors. eta vs tors. theta energy: -91.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -910.928675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.928675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.928675 (E_RNA) where: Base-Base interactions energy: -582.276 where: short stacking energy: -265.214 Base-Backbone interact. energy: 1.744 local terms energy: -330.397095 where: bonds (distance) C4'-P energy: -78.607 bonds (distance) P-C4' energy: -76.212 flat angles C4'-P-C4' energy: -82.222 flat angles P-C4'-P energy: -51.197 tors. eta vs tors. theta energy: -42.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -578.913624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.913624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.913624 (E_RNA) where: Base-Base interactions energy: -283.945 where: short stacking energy: -169.702 Base-Backbone interact. energy: -0.978 local terms energy: -293.990421 where: bonds (distance) C4'-P energy: -93.751 bonds (distance) P-C4' energy: -77.634 flat angles C4'-P-C4' energy: -65.527 flat angles P-C4'-P energy: -35.307 tors. eta vs tors. theta energy: -21.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -357.796110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.796110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.796110 (E_RNA) where: Base-Base interactions energy: -119.952 where: short stacking energy: -97.251 Base-Backbone interact. energy: 2.736 local terms energy: -240.580225 where: bonds (distance) C4'-P energy: -86.174 bonds (distance) P-C4' energy: -74.947 flat angles C4'-P-C4' energy: -55.491 flat angles P-C4'-P energy: -38.034 tors. eta vs tors. theta energy: 14.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1719.871474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.871474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.871474 (E_RNA) where: Base-Base interactions energy: -1189.100 where: short stacking energy: -510.224 Base-Backbone interact. energy: -1.971 local terms energy: -528.801171 where: bonds (distance) C4'-P energy: -98.842 bonds (distance) P-C4' energy: -99.901 flat angles C4'-P-C4' energy: -102.032 flat angles P-C4'-P energy: -70.199 tors. eta vs tors. theta energy: -157.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1605.780690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.780690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.780690 (E_RNA) where: Base-Base interactions energy: -1101.146 where: short stacking energy: -467.186 Base-Backbone interact. energy: -1.969 local terms energy: -502.665805 where: bonds (distance) C4'-P energy: -91.503 bonds (distance) P-C4' energy: -93.118 flat angles C4'-P-C4' energy: -101.874 flat angles P-C4'-P energy: -68.117 tors. eta vs tors. theta energy: -148.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1515.825066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.825066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.825066 (E_RNA) where: Base-Base interactions energy: -1028.686 where: short stacking energy: -465.107 Base-Backbone interact. energy: -0.138 local terms energy: -487.001378 where: bonds (distance) C4'-P energy: -95.164 bonds (distance) P-C4' energy: -87.151 flat angles C4'-P-C4' energy: -103.835 flat angles P-C4'-P energy: -66.703 tors. eta vs tors. theta energy: -134.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1439.862405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.862405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.862405 (E_RNA) where: Base-Base interactions energy: -985.837 where: short stacking energy: -415.914 Base-Backbone interact. energy: -0.423 local terms energy: -453.602498 where: bonds (distance) C4'-P energy: -88.683 bonds (distance) P-C4' energy: -88.832 flat angles C4'-P-C4' energy: -105.192 flat angles P-C4'-P energy: -51.325 tors. eta vs tors. theta energy: -119.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1365.371372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.371372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.371372 (E_RNA) where: Base-Base interactions energy: -914.630 where: short stacking energy: -409.094 Base-Backbone interact. energy: -1.638 local terms energy: -449.102998 where: bonds (distance) C4'-P energy: -92.448 bonds (distance) P-C4' energy: -79.852 flat angles C4'-P-C4' energy: -97.272 flat angles P-C4'-P energy: -60.706 tors. eta vs tors. theta energy: -118.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1219.109200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.109200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.109200 (E_RNA) where: Base-Base interactions energy: -785.549 where: short stacking energy: -388.589 Base-Backbone interact. energy: -1.879 local terms energy: -431.681273 where: bonds (distance) C4'-P energy: -76.793 bonds (distance) P-C4' energy: -84.722 flat angles C4'-P-C4' energy: -84.986 flat angles P-C4'-P energy: -61.811 tors. eta vs tors. theta energy: -123.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1163.873911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.873911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.873911 (E_RNA) where: Base-Base interactions energy: -784.283 where: short stacking energy: -342.773 Base-Backbone interact. energy: 0.788 local terms energy: -380.379372 where: bonds (distance) C4'-P energy: -72.957 bonds (distance) P-C4' energy: -77.103 flat angles C4'-P-C4' energy: -89.468 flat angles P-C4'-P energy: -51.258 tors. eta vs tors. theta energy: -89.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -903.667074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.667074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.667074 (E_RNA) where: Base-Base interactions energy: -590.848 where: short stacking energy: -302.143 Base-Backbone interact. energy: 0.050 local terms energy: -312.869489 where: bonds (distance) C4'-P energy: -56.674 bonds (distance) P-C4' energy: -92.896 flat angles C4'-P-C4' energy: -69.325 flat angles P-C4'-P energy: -43.086 tors. eta vs tors. theta energy: -50.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -592.294012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.294012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.294012 (E_RNA) where: Base-Base interactions energy: -296.793 where: short stacking energy: -173.294 Base-Backbone interact. energy: 0.092 local terms energy: -295.592866 where: bonds (distance) C4'-P energy: -77.593 bonds (distance) P-C4' energy: -94.100 flat angles C4'-P-C4' energy: -69.215 flat angles P-C4'-P energy: -37.381 tors. eta vs tors. theta energy: -17.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -397.471787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.471787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.471787 (E_RNA) where: Base-Base interactions energy: -128.328 where: short stacking energy: -94.799 Base-Backbone interact. energy: -1.300 local terms energy: -267.843719 where: bonds (distance) C4'-P energy: -83.109 bonds (distance) P-C4' energy: -68.611 flat angles C4'-P-C4' energy: -78.686 flat angles P-C4'-P energy: -39.781 tors. eta vs tors. theta energy: 2.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1704.714390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.714390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.714390 (E_RNA) where: Base-Base interactions energy: -1177.187 where: short stacking energy: -517.522 Base-Backbone interact. energy: -1.302 local terms energy: -526.225174 where: bonds (distance) C4'-P energy: -83.918 bonds (distance) P-C4' energy: -100.529 flat angles C4'-P-C4' energy: -112.641 flat angles P-C4'-P energy: -75.503 tors. eta vs tors. theta energy: -153.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1612.052601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.052601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.052601 (E_RNA) where: Base-Base interactions energy: -1109.439 where: short stacking energy: -473.861 Base-Backbone interact. energy: 2.597 local terms energy: -505.210828 where: bonds (distance) C4'-P energy: -93.761 bonds (distance) P-C4' energy: -102.180 flat angles C4'-P-C4' energy: -105.101 flat angles P-C4'-P energy: -67.894 tors. eta vs tors. theta energy: -136.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1518.032237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.032237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.032237 (E_RNA) where: Base-Base interactions energy: -1054.277 where: short stacking energy: -473.845 Base-Backbone interact. energy: -0.632 local terms energy: -463.123508 where: bonds (distance) C4'-P energy: -94.723 bonds (distance) P-C4' energy: -78.099 flat angles C4'-P-C4' energy: -92.947 flat angles P-C4'-P energy: -67.418 tors. eta vs tors. theta energy: -129.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1415.232169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.232169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.232169 (E_RNA) where: Base-Base interactions energy: -958.480 where: short stacking energy: -427.134 Base-Backbone interact. energy: -1.494 local terms energy: -455.258254 where: bonds (distance) C4'-P energy: -93.987 bonds (distance) P-C4' energy: -73.719 flat angles C4'-P-C4' energy: -105.865 flat angles P-C4'-P energy: -68.852 tors. eta vs tors. theta energy: -112.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1360.669408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.669408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.669408 (E_RNA) where: Base-Base interactions energy: -929.692 where: short stacking energy: -422.513 Base-Backbone interact. energy: -1.503 local terms energy: -429.474087 where: bonds (distance) C4'-P energy: -79.637 bonds (distance) P-C4' energy: -78.694 flat angles C4'-P-C4' energy: -93.167 flat angles P-C4'-P energy: -64.055 tors. eta vs tors. theta energy: -113.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -1274.211459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.211459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.211459 (E_RNA) where: Base-Base interactions energy: -864.250 where: short stacking energy: -396.140 Base-Backbone interact. energy: -0.732 local terms energy: -409.228770 where: bonds (distance) C4'-P energy: -72.595 bonds (distance) P-C4' energy: -80.557 flat angles C4'-P-C4' energy: -88.819 flat angles P-C4'-P energy: -60.435 tors. eta vs tors. theta energy: -106.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1224.822283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.822283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.822283 (E_RNA) where: Base-Base interactions energy: -776.704 where: short stacking energy: -386.451 Base-Backbone interact. energy: -1.421 local terms energy: -446.697006 where: bonds (distance) C4'-P energy: -82.905 bonds (distance) P-C4' energy: -94.131 flat angles C4'-P-C4' energy: -99.649 flat angles P-C4'-P energy: -55.751 tors. eta vs tors. theta energy: -114.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -888.478775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.478775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.478775 (E_RNA) where: Base-Base interactions energy: -564.564 where: short stacking energy: -272.226 Base-Backbone interact. energy: -0.598 local terms energy: -323.316878 where: bonds (distance) C4'-P energy: -57.147 bonds (distance) P-C4' energy: -78.862 flat angles C4'-P-C4' energy: -71.539 flat angles P-C4'-P energy: -45.278 tors. eta vs tors. theta energy: -70.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -574.888132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.888132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.888132 (E_RNA) where: Base-Base interactions energy: -281.755 where: short stacking energy: -174.069 Base-Backbone interact. energy: 0.272 local terms energy: -293.404626 where: bonds (distance) C4'-P energy: -74.345 bonds (distance) P-C4' energy: -86.977 flat angles C4'-P-C4' energy: -63.137 flat angles P-C4'-P energy: -43.034 tors. eta vs tors. theta energy: -25.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -434.359989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.359989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.359989 (E_RNA) where: Base-Base interactions energy: -198.083 where: short stacking energy: -135.791 Base-Backbone interact. energy: -0.863 local terms energy: -235.413711 where: bonds (distance) C4'-P energy: -64.803 bonds (distance) P-C4' energy: -72.113 flat angles C4'-P-C4' energy: -64.411 flat angles P-C4'-P energy: -33.051 tors. eta vs tors. theta energy: -1.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1715.107125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.107125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.107125 (E_RNA) where: Base-Base interactions energy: -1188.634 where: short stacking energy: -494.388 Base-Backbone interact. energy: -0.846 local terms energy: -525.628005 where: bonds (distance) C4'-P energy: -94.131 bonds (distance) P-C4' energy: -88.578 flat angles C4'-P-C4' energy: -109.424 flat angles P-C4'-P energy: -72.106 tors. eta vs tors. theta energy: -161.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1603.604068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.604068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.604068 (E_RNA) where: Base-Base interactions energy: -1119.037 where: short stacking energy: -484.492 Base-Backbone interact. energy: -0.293 local terms energy: -484.274169 where: bonds (distance) C4'-P energy: -93.500 bonds (distance) P-C4' energy: -88.984 flat angles C4'-P-C4' energy: -107.916 flat angles P-C4'-P energy: -63.435 tors. eta vs tors. theta energy: -130.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1540.484766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.484766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.484766 (E_RNA) where: Base-Base interactions energy: -1048.591 where: short stacking energy: -440.759 Base-Backbone interact. energy: 0.781 local terms energy: -492.674293 where: bonds (distance) C4'-P energy: -95.144 bonds (distance) P-C4' energy: -94.700 flat angles C4'-P-C4' energy: -103.447 flat angles P-C4'-P energy: -74.874 tors. eta vs tors. theta energy: -124.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1444.114370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.114370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.114370 (E_RNA) where: Base-Base interactions energy: -993.946 where: short stacking energy: -416.334 Base-Backbone interact. energy: -0.283 local terms energy: -449.885268 where: bonds (distance) C4'-P energy: -76.925 bonds (distance) P-C4' energy: -91.220 flat angles C4'-P-C4' energy: -93.508 flat angles P-C4'-P energy: -65.131 tors. eta vs tors. theta energy: -123.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1409.776205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.776205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.776205 (E_RNA) where: Base-Base interactions energy: -963.588 where: short stacking energy: -423.826 Base-Backbone interact. energy: -1.996 local terms energy: -444.191633 where: bonds (distance) C4'-P energy: -77.937 bonds (distance) P-C4' energy: -54.755 flat angles C4'-P-C4' energy: -113.567 flat angles P-C4'-P energy: -63.890 tors. eta vs tors. theta energy: -134.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1278.225576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.225576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.225576 (E_RNA) where: Base-Base interactions energy: -840.409 where: short stacking energy: -384.327 Base-Backbone interact. energy: -1.665 local terms energy: -436.151118 where: bonds (distance) C4'-P energy: -79.718 bonds (distance) P-C4' energy: -93.473 flat angles C4'-P-C4' energy: -92.325 flat angles P-C4'-P energy: -57.778 tors. eta vs tors. theta energy: -112.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -1122.883846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.883846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.883846 (E_RNA) where: Base-Base interactions energy: -717.755 where: short stacking energy: -338.091 Base-Backbone interact. energy: 0.041 local terms energy: -405.170203 where: bonds (distance) C4'-P energy: -80.935 bonds (distance) P-C4' energy: -83.279 flat angles C4'-P-C4' energy: -100.073 flat angles P-C4'-P energy: -63.420 tors. eta vs tors. theta energy: -77.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -867.488000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.488000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.488000 (E_RNA) where: Base-Base interactions energy: -528.311 where: short stacking energy: -264.708 Base-Backbone interact. energy: -1.659 local terms energy: -337.518580 where: bonds (distance) C4'-P energy: -60.027 bonds (distance) P-C4' energy: -89.159 flat angles C4'-P-C4' energy: -79.354 flat angles P-C4'-P energy: -66.631 tors. eta vs tors. theta energy: -42.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -578.448440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.448440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.448440 (E_RNA) where: Base-Base interactions energy: -306.972 where: short stacking energy: -185.091 Base-Backbone interact. energy: 0.541 local terms energy: -272.017161 where: bonds (distance) C4'-P energy: -75.540 bonds (distance) P-C4' energy: -82.669 flat angles C4'-P-C4' energy: -62.230 flat angles P-C4'-P energy: -38.437 tors. eta vs tors. theta energy: -13.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -495.237174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.237174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.237174 (E_RNA) where: Base-Base interactions energy: -237.018 where: short stacking energy: -154.851 Base-Backbone interact. energy: -0.811 local terms energy: -257.408985 where: bonds (distance) C4'-P energy: -82.250 bonds (distance) P-C4' energy: -80.108 flat angles C4'-P-C4' energy: -55.323 flat angles P-C4'-P energy: -36.998 tors. eta vs tors. theta energy: -2.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1713.839076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.839076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.839076 (E_RNA) where: Base-Base interactions energy: -1170.046 where: short stacking energy: -507.935 Base-Backbone interact. energy: -2.264 local terms energy: -541.528912 where: bonds (distance) C4'-P energy: -103.198 bonds (distance) P-C4' energy: -94.794 flat angles C4'-P-C4' energy: -112.874 flat angles P-C4'-P energy: -70.248 tors. eta vs tors. theta energy: -160.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1595.546751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.546751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.546751 (E_RNA) where: Base-Base interactions energy: -1103.515 where: short stacking energy: -475.576 Base-Backbone interact. energy: -2.551 local terms energy: -489.480556 where: bonds (distance) C4'-P energy: -87.000 bonds (distance) P-C4' energy: -87.862 flat angles C4'-P-C4' energy: -100.911 flat angles P-C4'-P energy: -79.285 tors. eta vs tors. theta energy: -134.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1513.879380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.879380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.879380 (E_RNA) where: Base-Base interactions energy: -1032.257 where: short stacking energy: -448.925 Base-Backbone interact. energy: -1.232 local terms energy: -480.390560 where: bonds (distance) C4'-P energy: -82.938 bonds (distance) P-C4' energy: -88.469 flat angles C4'-P-C4' energy: -104.073 flat angles P-C4'-P energy: -71.705 tors. eta vs tors. theta energy: -133.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1433.933320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.933320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.933320 (E_RNA) where: Base-Base interactions energy: -978.741 where: short stacking energy: -432.275 Base-Backbone interact. energy: -3.802 local terms energy: -451.390203 where: bonds (distance) C4'-P energy: -79.570 bonds (distance) P-C4' energy: -92.529 flat angles C4'-P-C4' energy: -90.632 flat angles P-C4'-P energy: -65.644 tors. eta vs tors. theta energy: -123.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1380.207666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.207666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.207666 (E_RNA) where: Base-Base interactions energy: -931.574 where: short stacking energy: -428.594 Base-Backbone interact. energy: -1.626 local terms energy: -447.007894 where: bonds (distance) C4'-P energy: -83.087 bonds (distance) P-C4' energy: -92.756 flat angles C4'-P-C4' energy: -86.360 flat angles P-C4'-P energy: -64.672 tors. eta vs tors. theta energy: -120.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1331.522279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.522279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.522279 (E_RNA) where: Base-Base interactions energy: -906.564 where: short stacking energy: -403.540 Base-Backbone interact. energy: 1.927 local terms energy: -426.884710 where: bonds (distance) C4'-P energy: -80.889 bonds (distance) P-C4' energy: -85.826 flat angles C4'-P-C4' energy: -92.710 flat angles P-C4'-P energy: -53.031 tors. eta vs tors. theta energy: -114.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1090.215504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.215504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.215504 (E_RNA) where: Base-Base interactions energy: -685.060 where: short stacking energy: -328.841 Base-Backbone interact. energy: -1.051 local terms energy: -404.104062 where: bonds (distance) C4'-P energy: -85.622 bonds (distance) P-C4' energy: -83.004 flat angles C4'-P-C4' energy: -95.333 flat angles P-C4'-P energy: -53.868 tors. eta vs tors. theta energy: -86.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -896.681663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.681663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.681663 (E_RNA) where: Base-Base interactions energy: -548.506 where: short stacking energy: -251.930 Base-Backbone interact. energy: -2.224 local terms energy: -345.951533 where: bonds (distance) C4'-P energy: -80.495 bonds (distance) P-C4' energy: -70.566 flat angles C4'-P-C4' energy: -91.782 flat angles P-C4'-P energy: -50.678 tors. eta vs tors. theta energy: -52.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -558.923136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.923136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.923136 (E_RNA) where: Base-Base interactions energy: -268.150 where: short stacking energy: -173.062 Base-Backbone interact. energy: 1.454 local terms energy: -292.226488 where: bonds (distance) C4'-P energy: -72.010 bonds (distance) P-C4' energy: -83.287 flat angles C4'-P-C4' energy: -74.427 flat angles P-C4'-P energy: -38.221 tors. eta vs tors. theta energy: -24.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -517.036071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.036071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.036071 (E_RNA) where: Base-Base interactions energy: -291.109 where: short stacking energy: -179.786 Base-Backbone interact. energy: -0.033 local terms energy: -225.893853 where: bonds (distance) C4'-P energy: -56.932 bonds (distance) P-C4' energy: -71.853 flat angles C4'-P-C4' energy: -62.276 flat angles P-C4'-P energy: -32.353 tors. eta vs tors. theta energy: -2.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1713.702316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.702316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.702316 (E_RNA) where: Base-Base interactions energy: -1182.137 where: short stacking energy: -517.694 Base-Backbone interact. energy: -0.791 local terms energy: -530.773946 where: bonds (distance) C4'-P energy: -96.647 bonds (distance) P-C4' energy: -86.954 flat angles C4'-P-C4' energy: -108.661 flat angles P-C4'-P energy: -76.247 tors. eta vs tors. theta energy: -162.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1611.064073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.064073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.064073 (E_RNA) where: Base-Base interactions energy: -1116.828 where: short stacking energy: -460.105 Base-Backbone interact. energy: 5.630 local terms energy: -499.866085 where: bonds (distance) C4'-P energy: -85.514 bonds (distance) P-C4' energy: -95.986 flat angles C4'-P-C4' energy: -105.511 flat angles P-C4'-P energy: -74.322 tors. eta vs tors. theta energy: -138.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1535.122894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.122894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.122894 (E_RNA) where: Base-Base interactions energy: -1066.166 where: short stacking energy: -465.291 Base-Backbone interact. energy: -2.100 local terms energy: -466.856807 where: bonds (distance) C4'-P energy: -87.426 bonds (distance) P-C4' energy: -83.344 flat angles C4'-P-C4' energy: -89.661 flat angles P-C4'-P energy: -69.398 tors. eta vs tors. theta energy: -137.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1441.483865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.483865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.483865 (E_RNA) where: Base-Base interactions energy: -982.323 where: short stacking energy: -432.589 Base-Backbone interact. energy: 0.185 local terms energy: -459.345777 where: bonds (distance) C4'-P energy: -83.444 bonds (distance) P-C4' energy: -94.207 flat angles C4'-P-C4' energy: -91.497 flat angles P-C4'-P energy: -65.197 tors. eta vs tors. theta energy: -125.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1374.382513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.382513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.382513 (E_RNA) where: Base-Base interactions energy: -922.317 where: short stacking energy: -415.296 Base-Backbone interact. energy: -1.377 local terms energy: -450.688946 where: bonds (distance) C4'-P energy: -83.682 bonds (distance) P-C4' energy: -90.582 flat angles C4'-P-C4' energy: -95.392 flat angles P-C4'-P energy: -62.689 tors. eta vs tors. theta energy: -118.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1294.291476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.291476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.291476 (E_RNA) where: Base-Base interactions energy: -854.200 where: short stacking energy: -381.192 Base-Backbone interact. energy: -1.445 local terms energy: -438.646913 where: bonds (distance) C4'-P energy: -88.579 bonds (distance) P-C4' energy: -90.915 flat angles C4'-P-C4' energy: -88.903 flat angles P-C4'-P energy: -60.437 tors. eta vs tors. theta energy: -109.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1132.151052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.151052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.151052 (E_RNA) where: Base-Base interactions energy: -731.971 where: short stacking energy: -338.575 Base-Backbone interact. energy: -2.698 local terms energy: -397.481703 where: bonds (distance) C4'-P energy: -70.960 bonds (distance) P-C4' energy: -93.815 flat angles C4'-P-C4' energy: -88.512 flat angles P-C4'-P energy: -53.923 tors. eta vs tors. theta energy: -90.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -917.112242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.112242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.112242 (E_RNA) where: Base-Base interactions energy: -582.528 where: short stacking energy: -268.504 Base-Backbone interact. energy: -2.829 local terms energy: -331.755314 where: bonds (distance) C4'-P energy: -69.921 bonds (distance) P-C4' energy: -73.204 flat angles C4'-P-C4' energy: -91.152 flat angles P-C4'-P energy: -45.676 tors. eta vs tors. theta energy: -51.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -518.108106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.108106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.108106 (E_RNA) where: Base-Base interactions energy: -247.211 where: short stacking energy: -183.139 Base-Backbone interact. energy: -3.197 local terms energy: -267.700079 where: bonds (distance) C4'-P energy: -66.696 bonds (distance) P-C4' energy: -86.154 flat angles C4'-P-C4' energy: -70.311 flat angles P-C4'-P energy: -38.048 tors. eta vs tors. theta energy: -6.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -496.668324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.668324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.668324 (E_RNA) where: Base-Base interactions energy: -239.846 where: short stacking energy: -161.297 Base-Backbone interact. energy: -1.327 local terms energy: -255.495291 where: bonds (distance) C4'-P energy: -69.495 bonds (distance) P-C4' energy: -81.737 flat angles C4'-P-C4' energy: -53.332 flat angles P-C4'-P energy: -41.546 tors. eta vs tors. theta energy: -9.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1732.208466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.208466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.208466 (E_RNA) where: Base-Base interactions energy: -1194.861 where: short stacking energy: -507.918 Base-Backbone interact. energy: -1.656 local terms energy: -535.691647 where: bonds (distance) C4'-P energy: -93.456 bonds (distance) P-C4' energy: -96.141 flat angles C4'-P-C4' energy: -117.646 flat angles P-C4'-P energy: -71.768 tors. eta vs tors. theta energy: -156.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1612.003283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.003283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.003283 (E_RNA) where: Base-Base interactions energy: -1136.988 where: short stacking energy: -477.784 Base-Backbone interact. energy: -1.344 local terms energy: -473.671325 where: bonds (distance) C4'-P energy: -78.819 bonds (distance) P-C4' energy: -79.844 flat angles C4'-P-C4' energy: -107.706 flat angles P-C4'-P energy: -69.476 tors. eta vs tors. theta energy: -137.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1549.479392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.479392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.479392 (E_RNA) where: Base-Base interactions energy: -1053.118 where: short stacking energy: -475.854 Base-Backbone interact. energy: -0.742 local terms energy: -495.619684 where: bonds (distance) C4'-P energy: -75.863 bonds (distance) P-C4' energy: -96.623 flat angles C4'-P-C4' energy: -105.550 flat angles P-C4'-P energy: -74.065 tors. eta vs tors. theta energy: -143.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1434.184444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.184444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.184444 (E_RNA) where: Base-Base interactions energy: -970.633 where: short stacking energy: -425.351 Base-Backbone interact. energy: -1.459 local terms energy: -462.092625 where: bonds (distance) C4'-P energy: -84.671 bonds (distance) P-C4' energy: -89.006 flat angles C4'-P-C4' energy: -105.741 flat angles P-C4'-P energy: -61.071 tors. eta vs tors. theta energy: -121.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1415.977093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.977093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.977093 (E_RNA) where: Base-Base interactions energy: -964.143 where: short stacking energy: -438.287 Base-Backbone interact. energy: -1.447 local terms energy: -450.387092 where: bonds (distance) C4'-P energy: -73.859 bonds (distance) P-C4' energy: -81.526 flat angles C4'-P-C4' energy: -99.650 flat angles P-C4'-P energy: -61.268 tors. eta vs tors. theta energy: -134.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1323.648532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.648532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.648532 (E_RNA) where: Base-Base interactions energy: -905.161 where: short stacking energy: -395.181 Base-Backbone interact. energy: 0.494 local terms energy: -418.981478 where: bonds (distance) C4'-P energy: -83.301 bonds (distance) P-C4' energy: -82.259 flat angles C4'-P-C4' energy: -90.740 flat angles P-C4'-P energy: -60.361 tors. eta vs tors. theta energy: -102.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1077.090034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.090034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.090034 (E_RNA) where: Base-Base interactions energy: -714.779 where: short stacking energy: -339.043 Base-Backbone interact. energy: -1.588 local terms energy: -360.722896 where: bonds (distance) C4'-P energy: -63.888 bonds (distance) P-C4' energy: -81.839 flat angles C4'-P-C4' energy: -76.048 flat angles P-C4'-P energy: -50.262 tors. eta vs tors. theta energy: -88.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -859.243430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.243430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.243430 (E_RNA) where: Base-Base interactions energy: -526.836 where: short stacking energy: -273.986 Base-Backbone interact. energy: -2.930 local terms energy: -329.476957 where: bonds (distance) C4'-P energy: -71.224 bonds (distance) P-C4' energy: -78.458 flat angles C4'-P-C4' energy: -75.857 flat angles P-C4'-P energy: -41.509 tors. eta vs tors. theta energy: -62.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -489.002208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.002208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.002208 (E_RNA) where: Base-Base interactions energy: -213.160 where: short stacking energy: -114.163 Base-Backbone interact. energy: 0.638 local terms energy: -276.479544 where: bonds (distance) C4'-P energy: -84.014 bonds (distance) P-C4' energy: -91.163 flat angles C4'-P-C4' energy: -61.070 flat angles P-C4'-P energy: -46.441 tors. eta vs tors. theta energy: 6.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -486.973333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.973333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.973333 (E_RNA) where: Base-Base interactions energy: -229.473 where: short stacking energy: -138.553 Base-Backbone interact. energy: -2.125 local terms energy: -255.375861 where: bonds (distance) C4'-P energy: -70.867 bonds (distance) P-C4' energy: -72.766 flat angles C4'-P-C4' energy: -74.298 flat angles P-C4'-P energy: -40.191 tors. eta vs tors. theta energy: 2.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1702.506063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.506063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.506063 (E_RNA) where: Base-Base interactions energy: -1162.477 where: short stacking energy: -521.222 Base-Backbone interact. energy: -1.683 local terms energy: -538.346728 where: bonds (distance) C4'-P energy: -86.891 bonds (distance) P-C4' energy: -105.248 flat angles C4'-P-C4' energy: -112.655 flat angles P-C4'-P energy: -71.686 tors. eta vs tors. theta energy: -161.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1595.823445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.823445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.823445 (E_RNA) where: Base-Base interactions energy: -1098.803 where: short stacking energy: -466.869 Base-Backbone interact. energy: -3.078 local terms energy: -493.942227 where: bonds (distance) C4'-P energy: -82.207 bonds (distance) P-C4' energy: -96.284 flat angles C4'-P-C4' energy: -107.571 flat angles P-C4'-P energy: -67.654 tors. eta vs tors. theta energy: -140.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1517.801231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.801231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.801231 (E_RNA) where: Base-Base interactions energy: -1042.198 where: short stacking energy: -460.473 Base-Backbone interact. energy: -2.472 local terms energy: -473.131534 where: bonds (distance) C4'-P energy: -87.850 bonds (distance) P-C4' energy: -88.095 flat angles C4'-P-C4' energy: -102.819 flat angles P-C4'-P energy: -67.601 tors. eta vs tors. theta energy: -126.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1497.942288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.942288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.942288 (E_RNA) where: Base-Base interactions energy: -1023.441 where: short stacking energy: -432.836 Base-Backbone interact. energy: -0.736 local terms energy: -473.765612 where: bonds (distance) C4'-P energy: -88.113 bonds (distance) P-C4' energy: -88.638 flat angles C4'-P-C4' energy: -101.186 flat angles P-C4'-P energy: -62.891 tors. eta vs tors. theta energy: -132.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1432.977647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.977647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.977647 (E_RNA) where: Base-Base interactions energy: -983.479 where: short stacking energy: -441.234 Base-Backbone interact. energy: -1.124 local terms energy: -448.373957 where: bonds (distance) C4'-P energy: -76.716 bonds (distance) P-C4' energy: -71.992 flat angles C4'-P-C4' energy: -99.532 flat angles P-C4'-P energy: -62.499 tors. eta vs tors. theta energy: -137.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1360.282065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.282065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.282065 (E_RNA) where: Base-Base interactions energy: -925.969 where: short stacking energy: -403.265 Base-Backbone interact. energy: -1.672 local terms energy: -432.641097 where: bonds (distance) C4'-P energy: -78.348 bonds (distance) P-C4' energy: -88.022 flat angles C4'-P-C4' energy: -88.859 flat angles P-C4'-P energy: -59.478 tors. eta vs tors. theta energy: -117.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1108.881214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.881214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.881214 (E_RNA) where: Base-Base interactions energy: -701.379 where: short stacking energy: -351.254 Base-Backbone interact. energy: 0.474 local terms energy: -407.975860 where: bonds (distance) C4'-P energy: -87.448 bonds (distance) P-C4' energy: -84.351 flat angles C4'-P-C4' energy: -94.264 flat angles P-C4'-P energy: -54.828 tors. eta vs tors. theta energy: -87.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -904.565531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.565531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.565531 (E_RNA) where: Base-Base interactions energy: -560.660 where: short stacking energy: -264.624 Base-Backbone interact. energy: 5.488 local terms energy: -349.394179 where: bonds (distance) C4'-P energy: -75.629 bonds (distance) P-C4' energy: -74.814 flat angles C4'-P-C4' energy: -82.963 flat angles P-C4'-P energy: -49.609 tors. eta vs tors. theta energy: -66.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -518.925211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.925211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.925211 (E_RNA) where: Base-Base interactions energy: -249.801 where: short stacking energy: -134.610 Base-Backbone interact. energy: 0.123 local terms energy: -269.247488 where: bonds (distance) C4'-P energy: -84.219 bonds (distance) P-C4' energy: -84.816 flat angles C4'-P-C4' energy: -68.983 flat angles P-C4'-P energy: -44.865 tors. eta vs tors. theta energy: 13.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -516.165946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.165946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.165946 (E_RNA) where: Base-Base interactions energy: -229.876 where: short stacking energy: -158.940 Base-Backbone interact. energy: 1.873 local terms energy: -288.163614 where: bonds (distance) C4'-P energy: -74.689 bonds (distance) P-C4' energy: -91.342 flat angles C4'-P-C4' energy: -71.541 flat angles P-C4'-P energy: -45.143 tors. eta vs tors. theta energy: -5.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1720.208362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.208362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.208362 (E_RNA) where: Base-Base interactions energy: -1178.753 where: short stacking energy: -543.264 Base-Backbone interact. energy: -0.481 local terms energy: -540.974632 where: bonds (distance) C4'-P energy: -86.463 bonds (distance) P-C4' energy: -106.436 flat angles C4'-P-C4' energy: -116.296 flat angles P-C4'-P energy: -69.221 tors. eta vs tors. theta energy: -162.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1561.253894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.253894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.253894 (E_RNA) where: Base-Base interactions energy: -1074.944 where: short stacking energy: -462.212 Base-Backbone interact. energy: -2.214 local terms energy: -484.096321 where: bonds (distance) C4'-P energy: -84.115 bonds (distance) P-C4' energy: -90.397 flat angles C4'-P-C4' energy: -104.422 flat angles P-C4'-P energy: -65.604 tors. eta vs tors. theta energy: -139.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1562.478785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.478785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.478785 (E_RNA) where: Base-Base interactions energy: -1058.486 where: short stacking energy: -445.132 Base-Backbone interact. energy: -2.376 local terms energy: -501.616595 where: bonds (distance) C4'-P energy: -97.914 bonds (distance) P-C4' energy: -96.278 flat angles C4'-P-C4' energy: -105.867 flat angles P-C4'-P energy: -70.297 tors. eta vs tors. theta energy: -131.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1489.380776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.380776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.380776 (E_RNA) where: Base-Base interactions energy: -1007.379 where: short stacking energy: -428.858 Base-Backbone interact. energy: -2.321 local terms energy: -479.681408 where: bonds (distance) C4'-P energy: -80.631 bonds (distance) P-C4' energy: -101.694 flat angles C4'-P-C4' energy: -104.439 flat angles P-C4'-P energy: -68.081 tors. eta vs tors. theta energy: -124.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -1420.351254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.351254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.351254 (E_RNA) where: Base-Base interactions energy: -967.654 where: short stacking energy: -420.998 Base-Backbone interact. energy: -2.304 local terms energy: -450.393192 where: bonds (distance) C4'-P energy: -66.682 bonds (distance) P-C4' energy: -94.266 flat angles C4'-P-C4' energy: -94.303 flat angles P-C4'-P energy: -63.846 tors. eta vs tors. theta energy: -131.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1292.577752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.577752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.577752 (E_RNA) where: Base-Base interactions energy: -894.650 where: short stacking energy: -397.775 Base-Backbone interact. energy: -1.584 local terms energy: -396.344093 where: bonds (distance) C4'-P energy: -69.237 bonds (distance) P-C4' energy: -74.650 flat angles C4'-P-C4' energy: -84.006 flat angles P-C4'-P energy: -63.100 tors. eta vs tors. theta energy: -105.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1075.824307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.824307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.824307 (E_RNA) where: Base-Base interactions energy: -676.622 where: short stacking energy: -330.501 Base-Backbone interact. energy: -2.384 local terms energy: -396.818427 where: bonds (distance) C4'-P energy: -77.164 bonds (distance) P-C4' energy: -82.375 flat angles C4'-P-C4' energy: -96.460 flat angles P-C4'-P energy: -55.858 tors. eta vs tors. theta energy: -84.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -892.841176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.841176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.841176 (E_RNA) where: Base-Base interactions energy: -554.334 where: short stacking energy: -265.924 Base-Backbone interact. energy: -0.496 local terms energy: -338.011263 where: bonds (distance) C4'-P energy: -77.594 bonds (distance) P-C4' energy: -83.164 flat angles C4'-P-C4' energy: -79.167 flat angles P-C4'-P energy: -49.311 tors. eta vs tors. theta energy: -48.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -514.329146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.329146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.329146 (E_RNA) where: Base-Base interactions energy: -248.162 where: short stacking energy: -143.690 Base-Backbone interact. energy: -1.394 local terms energy: -264.773059 where: bonds (distance) C4'-P energy: -65.905 bonds (distance) P-C4' energy: -95.919 flat angles C4'-P-C4' energy: -61.523 flat angles P-C4'-P energy: -38.990 tors. eta vs tors. theta energy: -2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -472.654747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.654747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.654747 (E_RNA) where: Base-Base interactions energy: -233.710 where: short stacking energy: -160.195 Base-Backbone interact. energy: 3.115 local terms energy: -242.059429 where: bonds (distance) C4'-P energy: -62.859 bonds (distance) P-C4' energy: -74.675 flat angles C4'-P-C4' energy: -72.411 flat angles P-C4'-P energy: -38.436 tors. eta vs tors. theta energy: 6.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1710.347469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.347469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.347469 (E_RNA) where: Base-Base interactions energy: -1172.816 where: short stacking energy: -523.485 Base-Backbone interact. energy: -0.560 local terms energy: -536.971213 where: bonds (distance) C4'-P energy: -92.370 bonds (distance) P-C4' energy: -93.036 flat angles C4'-P-C4' energy: -112.388 flat angles P-C4'-P energy: -75.926 tors. eta vs tors. theta energy: -163.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1542.472103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.472103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.472103 (E_RNA) where: Base-Base interactions energy: -1046.721 where: short stacking energy: -440.129 Base-Backbone interact. energy: -1.416 local terms energy: -494.335301 where: bonds (distance) C4'-P energy: -92.426 bonds (distance) P-C4' energy: -99.146 flat angles C4'-P-C4' energy: -99.507 flat angles P-C4'-P energy: -74.196 tors. eta vs tors. theta energy: -129.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1543.822694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.822694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.822694 (E_RNA) where: Base-Base interactions energy: -1071.077 where: short stacking energy: -461.926 Base-Backbone interact. energy: -0.051 local terms energy: -472.694612 where: bonds (distance) C4'-P energy: -85.713 bonds (distance) P-C4' energy: -91.837 flat angles C4'-P-C4' energy: -86.807 flat angles P-C4'-P energy: -77.657 tors. eta vs tors. theta energy: -130.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1457.968230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.968230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.968230 (E_RNA) where: Base-Base interactions energy: -971.502 where: short stacking energy: -422.579 Base-Backbone interact. energy: -1.676 local terms energy: -484.790331 where: bonds (distance) C4'-P energy: -83.948 bonds (distance) P-C4' energy: -94.503 flat angles C4'-P-C4' energy: -99.688 flat angles P-C4'-P energy: -74.575 tors. eta vs tors. theta energy: -132.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1413.610691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.610691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.610691 (E_RNA) where: Base-Base interactions energy: -959.293 where: short stacking energy: -430.339 Base-Backbone interact. energy: -3.282 local terms energy: -451.035694 where: bonds (distance) C4'-P energy: -76.093 bonds (distance) P-C4' energy: -88.957 flat angles C4'-P-C4' energy: -107.361 flat angles P-C4'-P energy: -53.979 tors. eta vs tors. theta energy: -124.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1235.770274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.770274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.770274 (E_RNA) where: Base-Base interactions energy: -819.052 where: short stacking energy: -386.120 Base-Backbone interact. energy: -1.218 local terms energy: -415.500894 where: bonds (distance) C4'-P energy: -76.718 bonds (distance) P-C4' energy: -85.276 flat angles C4'-P-C4' energy: -86.672 flat angles P-C4'-P energy: -52.916 tors. eta vs tors. theta energy: -113.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1092.283864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.283864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.283864 (E_RNA) where: Base-Base interactions energy: -713.854 where: short stacking energy: -320.902 Base-Backbone interact. energy: -0.668 local terms energy: -377.762412 where: bonds (distance) C4'-P energy: -83.807 bonds (distance) P-C4' energy: -85.138 flat angles C4'-P-C4' energy: -78.693 flat angles P-C4'-P energy: -42.466 tors. eta vs tors. theta energy: -87.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -886.626479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.626479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.626479 (E_RNA) where: Base-Base interactions energy: -536.404 where: short stacking energy: -252.056 Base-Backbone interact. energy: -1.568 local terms energy: -348.654012 where: bonds (distance) C4'-P energy: -73.715 bonds (distance) P-C4' energy: -89.421 flat angles C4'-P-C4' energy: -70.893 flat angles P-C4'-P energy: -54.414 tors. eta vs tors. theta energy: -60.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -503.156792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.156792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.156792 (E_RNA) where: Base-Base interactions energy: -204.476 where: short stacking energy: -115.077 Base-Backbone interact. energy: -1.653 local terms energy: -297.028169 where: bonds (distance) C4'-P energy: -88.019 bonds (distance) P-C4' energy: -87.759 flat angles C4'-P-C4' energy: -74.973 flat angles P-C4'-P energy: -53.146 tors. eta vs tors. theta energy: 6.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -475.138572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.138572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.138572 (E_RNA) where: Base-Base interactions energy: -199.942 where: short stacking energy: -143.671 Base-Backbone interact. energy: -1.250 local terms energy: -273.946123 where: bonds (distance) C4'-P energy: -73.533 bonds (distance) P-C4' energy: -88.202 flat angles C4'-P-C4' energy: -68.940 flat angles P-C4'-P energy: -36.301 tors. eta vs tors. theta energy: -6.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1700.793860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.793860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.793860 (E_RNA) where: Base-Base interactions energy: -1182.680 where: short stacking energy: -505.761 Base-Backbone interact. energy: -0.459 local terms energy: -517.654454 where: bonds (distance) C4'-P energy: -88.802 bonds (distance) P-C4' energy: -91.386 flat angles C4'-P-C4' energy: -106.672 flat angles P-C4'-P energy: -71.315 tors. eta vs tors. theta energy: -159.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1603.228994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.228994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.228994 (E_RNA) where: Base-Base interactions energy: -1118.141 where: short stacking energy: -470.004 Base-Backbone interact. energy: -2.977 local terms energy: -482.111352 where: bonds (distance) C4'-P energy: -84.147 bonds (distance) P-C4' energy: -92.097 flat angles C4'-P-C4' energy: -98.253 flat angles P-C4'-P energy: -71.396 tors. eta vs tors. theta energy: -136.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1486.348431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.348431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.348431 (E_RNA) where: Base-Base interactions energy: -998.182 where: short stacking energy: -436.692 Base-Backbone interact. energy: -4.969 local terms energy: -483.197438 where: bonds (distance) C4'-P energy: -85.006 bonds (distance) P-C4' energy: -91.434 flat angles C4'-P-C4' energy: -101.814 flat angles P-C4'-P energy: -68.947 tors. eta vs tors. theta energy: -135.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1462.885209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.885209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.885209 (E_RNA) where: Base-Base interactions energy: -1018.919 where: short stacking energy: -427.496 Base-Backbone interact. energy: -1.406 local terms energy: -442.560281 where: bonds (distance) C4'-P energy: -81.423 bonds (distance) P-C4' energy: -80.947 flat angles C4'-P-C4' energy: -85.567 flat angles P-C4'-P energy: -67.642 tors. eta vs tors. theta energy: -126.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1436.965070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.965070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.965070 (E_RNA) where: Base-Base interactions energy: -972.569 where: short stacking energy: -424.990 Base-Backbone interact. energy: 2.947 local terms energy: -467.342841 where: bonds (distance) C4'-P energy: -89.122 bonds (distance) P-C4' energy: -86.619 flat angles C4'-P-C4' energy: -96.158 flat angles P-C4'-P energy: -66.786 tors. eta vs tors. theta energy: -128.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -1345.408766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.408766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.408766 (E_RNA) where: Base-Base interactions energy: -903.158 where: short stacking energy: -382.626 Base-Backbone interact. energy: -1.623 local terms energy: -440.627976 where: bonds (distance) C4'-P energy: -77.836 bonds (distance) P-C4' energy: -87.248 flat angles C4'-P-C4' energy: -96.758 flat angles P-C4'-P energy: -57.628 tors. eta vs tors. theta energy: -121.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1112.235468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.235468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.235468 (E_RNA) where: Base-Base interactions energy: -709.040 where: short stacking energy: -329.043 Base-Backbone interact. energy: 0.568 local terms energy: -403.763677 where: bonds (distance) C4'-P energy: -81.055 bonds (distance) P-C4' energy: -93.801 flat angles C4'-P-C4' energy: -77.378 flat angles P-C4'-P energy: -51.333 tors. eta vs tors. theta energy: -100.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -867.867456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.867456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.867456 (E_RNA) where: Base-Base interactions energy: -538.276 where: short stacking energy: -263.033 Base-Backbone interact. energy: -0.154 local terms energy: -329.437061 where: bonds (distance) C4'-P energy: -73.233 bonds (distance) P-C4' energy: -83.726 flat angles C4'-P-C4' energy: -82.658 flat angles P-C4'-P energy: -46.865 tors. eta vs tors. theta energy: -42.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -499.700585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.700585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.700585 (E_RNA) where: Base-Base interactions energy: -223.176 where: short stacking energy: -149.466 Base-Backbone interact. energy: 1.839 local terms energy: -278.363545 where: bonds (distance) C4'-P energy: -80.835 bonds (distance) P-C4' energy: -71.725 flat angles C4'-P-C4' energy: -76.897 flat angles P-C4'-P energy: -48.129 tors. eta vs tors. theta energy: -0.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -479.053437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.053437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.053437 (E_RNA) where: Base-Base interactions energy: -228.172 where: short stacking energy: -137.042 Base-Backbone interact. energy: 1.271 local terms energy: -252.152490 where: bonds (distance) C4'-P energy: -65.740 bonds (distance) P-C4' energy: -88.396 flat angles C4'-P-C4' energy: -80.247 flat angles P-C4'-P energy: -23.167 tors. eta vs tors. theta energy: 5.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1717.379646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.379646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.379646 (E_RNA) where: Base-Base interactions energy: -1190.089 where: short stacking energy: -520.580 Base-Backbone interact. energy: -0.523 local terms energy: -526.767413 where: bonds (distance) C4'-P energy: -88.476 bonds (distance) P-C4' energy: -90.478 flat angles C4'-P-C4' energy: -103.071 flat angles P-C4'-P energy: -84.721 tors. eta vs tors. theta energy: -160.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1607.880282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.880282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.880282 (E_RNA) where: Base-Base interactions energy: -1109.249 where: short stacking energy: -475.396 Base-Backbone interact. energy: -3.989 local terms energy: -494.642058 where: bonds (distance) C4'-P energy: -96.880 bonds (distance) P-C4' energy: -92.067 flat angles C4'-P-C4' energy: -103.747 flat angles P-C4'-P energy: -63.099 tors. eta vs tors. theta energy: -138.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1511.878386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.878386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.878386 (E_RNA) where: Base-Base interactions energy: -1031.760 where: short stacking energy: -443.656 Base-Backbone interact. energy: -3.494 local terms energy: -476.624636 where: bonds (distance) C4'-P energy: -85.182 bonds (distance) P-C4' energy: -84.537 flat angles C4'-P-C4' energy: -105.270 flat angles P-C4'-P energy: -64.053 tors. eta vs tors. theta energy: -137.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1488.069541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.069541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.069541 (E_RNA) where: Base-Base interactions energy: -1016.291 where: short stacking energy: -450.684 Base-Backbone interact. energy: -1.514 local terms energy: -470.264131 where: bonds (distance) C4'-P energy: -77.974 bonds (distance) P-C4' energy: -104.169 flat angles C4'-P-C4' energy: -87.025 flat angles P-C4'-P energy: -75.282 tors. eta vs tors. theta energy: -125.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1422.415881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.415881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.415881 (E_RNA) where: Base-Base interactions energy: -965.490 where: short stacking energy: -406.145 Base-Backbone interact. energy: -1.912 local terms energy: -455.014061 where: bonds (distance) C4'-P energy: -77.403 bonds (distance) P-C4' energy: -86.063 flat angles C4'-P-C4' energy: -104.258 flat angles P-C4'-P energy: -68.788 tors. eta vs tors. theta energy: -118.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1405.591226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.591226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.591226 (E_RNA) where: Base-Base interactions energy: -932.572 where: short stacking energy: -416.386 Base-Backbone interact. energy: -0.358 local terms energy: -472.661352 where: bonds (distance) C4'-P energy: -90.092 bonds (distance) P-C4' energy: -92.067 flat angles C4'-P-C4' energy: -98.824 flat angles P-C4'-P energy: -62.678 tors. eta vs tors. theta energy: -129.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1061.481846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.481846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.481846 (E_RNA) where: Base-Base interactions energy: -668.900 where: short stacking energy: -330.564 Base-Backbone interact. energy: 0.124 local terms energy: -392.705949 where: bonds (distance) C4'-P energy: -73.601 bonds (distance) P-C4' energy: -85.674 flat angles C4'-P-C4' energy: -93.162 flat angles P-C4'-P energy: -59.744 tors. eta vs tors. theta energy: -80.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -883.511365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.511365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.511365 (E_RNA) where: Base-Base interactions energy: -560.462 where: short stacking energy: -276.543 Base-Backbone interact. energy: -0.396 local terms energy: -322.653297 where: bonds (distance) C4'-P energy: -80.229 bonds (distance) P-C4' energy: -81.361 flat angles C4'-P-C4' energy: -70.829 flat angles P-C4'-P energy: -42.818 tors. eta vs tors. theta energy: -47.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -561.742063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.742063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.742063 (E_RNA) where: Base-Base interactions energy: -280.698 where: short stacking energy: -162.203 Base-Backbone interact. energy: 2.019 local terms energy: -283.063028 where: bonds (distance) C4'-P energy: -54.881 bonds (distance) P-C4' energy: -88.232 flat angles C4'-P-C4' energy: -70.542 flat angles P-C4'-P energy: -59.004 tors. eta vs tors. theta energy: -10.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -470.486101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.486101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.486101 (E_RNA) where: Base-Base interactions energy: -227.017 where: short stacking energy: -138.723 Base-Backbone interact. energy: 11.092 local terms energy: -254.561324 where: bonds (distance) C4'-P energy: -75.479 bonds (distance) P-C4' energy: -83.023 flat angles C4'-P-C4' energy: -73.212 flat angles P-C4'-P energy: -36.522 tors. eta vs tors. theta energy: 13.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1728.972914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.972914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.972914 (E_RNA) where: Base-Base interactions energy: -1196.119 where: short stacking energy: -504.472 Base-Backbone interact. energy: -0.140 local terms energy: -532.714162 where: bonds (distance) C4'-P energy: -94.151 bonds (distance) P-C4' energy: -96.753 flat angles C4'-P-C4' energy: -109.661 flat angles P-C4'-P energy: -69.050 tors. eta vs tors. theta energy: -163.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1633.263578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.263578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.263578 (E_RNA) where: Base-Base interactions energy: -1132.530 where: short stacking energy: -481.246 Base-Backbone interact. energy: 0.527 local terms energy: -501.260870 where: bonds (distance) C4'-P energy: -89.069 bonds (distance) P-C4' energy: -93.867 flat angles C4'-P-C4' energy: -107.451 flat angles P-C4'-P energy: -64.626 tors. eta vs tors. theta energy: -146.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1532.378960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.378960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.378960 (E_RNA) where: Base-Base interactions energy: -1042.594 where: short stacking energy: -471.436 Base-Backbone interact. energy: -4.144 local terms energy: -485.641135 where: bonds (distance) C4'-P energy: -93.923 bonds (distance) P-C4' energy: -88.644 flat angles C4'-P-C4' energy: -98.396 flat angles P-C4'-P energy: -61.439 tors. eta vs tors. theta energy: -143.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1507.693007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.693007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.693007 (E_RNA) where: Base-Base interactions energy: -1038.501 where: short stacking energy: -435.958 Base-Backbone interact. energy: 0.520 local terms energy: -469.711977 where: bonds (distance) C4'-P energy: -93.594 bonds (distance) P-C4' energy: -77.133 flat angles C4'-P-C4' energy: -99.169 flat angles P-C4'-P energy: -71.607 tors. eta vs tors. theta energy: -128.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1382.905141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.905141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.905141 (E_RNA) where: Base-Base interactions energy: -955.784 where: short stacking energy: -425.141 Base-Backbone interact. energy: -0.895 local terms energy: -426.226210 where: bonds (distance) C4'-P energy: -78.942 bonds (distance) P-C4' energy: -69.921 flat angles C4'-P-C4' energy: -89.325 flat angles P-C4'-P energy: -58.573 tors. eta vs tors. theta energy: -129.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1379.047603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.047603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.047603 (E_RNA) where: Base-Base interactions energy: -934.671 where: short stacking energy: -418.061 Base-Backbone interact. energy: -3.577 local terms energy: -440.799368 where: bonds (distance) C4'-P energy: -80.639 bonds (distance) P-C4' energy: -81.428 flat angles C4'-P-C4' energy: -82.541 flat angles P-C4'-P energy: -64.771 tors. eta vs tors. theta energy: -131.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1125.965457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.965457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.965457 (E_RNA) where: Base-Base interactions energy: -717.568 where: short stacking energy: -330.429 Base-Backbone interact. energy: -2.380 local terms energy: -406.017389 where: bonds (distance) C4'-P energy: -81.776 bonds (distance) P-C4' energy: -81.768 flat angles C4'-P-C4' energy: -88.401 flat angles P-C4'-P energy: -61.195 tors. eta vs tors. theta energy: -92.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -857.314134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.314134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.314134 (E_RNA) where: Base-Base interactions energy: -512.848 where: short stacking energy: -253.474 Base-Backbone interact. energy: 2.231 local terms energy: -346.696736 where: bonds (distance) C4'-P energy: -78.504 bonds (distance) P-C4' energy: -87.072 flat angles C4'-P-C4' energy: -84.176 flat angles P-C4'-P energy: -44.200 tors. eta vs tors. theta energy: -52.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -575.555130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.555130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.555130 (E_RNA) where: Base-Base interactions energy: -295.337 where: short stacking energy: -158.012 Base-Backbone interact. energy: -3.246 local terms energy: -276.972290 where: bonds (distance) C4'-P energy: -74.148 bonds (distance) P-C4' energy: -81.263 flat angles C4'-P-C4' energy: -76.521 flat angles P-C4'-P energy: -39.834 tors. eta vs tors. theta energy: -5.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -477.389281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.389281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.389281 (E_RNA) where: Base-Base interactions energy: -208.170 where: short stacking energy: -143.562 Base-Backbone interact. energy: 4.937 local terms energy: -274.156380 where: bonds (distance) C4'-P energy: -80.357 bonds (distance) P-C4' energy: -77.372 flat angles C4'-P-C4' energy: -70.522 flat angles P-C4'-P energy: -42.501 tors. eta vs tors. theta energy: -3.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1713.689734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.689734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.689734 (E_RNA) where: Base-Base interactions energy: -1188.015 where: short stacking energy: -495.238 Base-Backbone interact. energy: -0.417 local terms energy: -525.256967 where: bonds (distance) C4'-P energy: -102.882 bonds (distance) P-C4' energy: -94.334 flat angles C4'-P-C4' energy: -106.574 flat angles P-C4'-P energy: -66.451 tors. eta vs tors. theta energy: -155.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1640.006791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.006791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.006791 (E_RNA) where: Base-Base interactions energy: -1106.464 where: short stacking energy: -481.390 Base-Backbone interact. energy: -2.754 local terms energy: -530.789305 where: bonds (distance) C4'-P energy: -92.360 bonds (distance) P-C4' energy: -107.333 flat angles C4'-P-C4' energy: -102.268 flat angles P-C4'-P energy: -69.954 tors. eta vs tors. theta energy: -158.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1501.428883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.428883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.428883 (E_RNA) where: Base-Base interactions energy: -1030.957 where: short stacking energy: -455.248 Base-Backbone interact. energy: 1.683 local terms energy: -472.155776 where: bonds (distance) C4'-P energy: -76.731 bonds (distance) P-C4' energy: -83.665 flat angles C4'-P-C4' energy: -105.486 flat angles P-C4'-P energy: -73.574 tors. eta vs tors. theta energy: -132.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1510.730845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.730845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.730845 (E_RNA) where: Base-Base interactions energy: -1031.212 where: short stacking energy: -458.056 Base-Backbone interact. energy: -1.216 local terms energy: -478.302242 where: bonds (distance) C4'-P energy: -85.796 bonds (distance) P-C4' energy: -96.662 flat angles C4'-P-C4' energy: -98.263 flat angles P-C4'-P energy: -66.224 tors. eta vs tors. theta energy: -131.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1460.634896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.634896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.634896 (E_RNA) where: Base-Base interactions energy: -999.497 where: short stacking energy: -431.702 Base-Backbone interact. energy: -2.717 local terms energy: -458.420379 where: bonds (distance) C4'-P energy: -80.638 bonds (distance) P-C4' energy: -87.555 flat angles C4'-P-C4' energy: -89.648 flat angles P-C4'-P energy: -67.900 tors. eta vs tors. theta energy: -132.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1354.215364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.215364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.215364 (E_RNA) where: Base-Base interactions energy: -929.855 where: short stacking energy: -395.762 Base-Backbone interact. energy: -1.870 local terms energy: -422.489819 where: bonds (distance) C4'-P energy: -83.263 bonds (distance) P-C4' energy: -76.733 flat angles C4'-P-C4' energy: -88.299 flat angles P-C4'-P energy: -60.820 tors. eta vs tors. theta energy: -113.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1077.342250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.342250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.342250 (E_RNA) where: Base-Base interactions energy: -701.858 where: short stacking energy: -320.341 Base-Backbone interact. energy: -1.328 local terms energy: -374.156523 where: bonds (distance) C4'-P energy: -67.782 bonds (distance) P-C4' energy: -67.997 flat angles C4'-P-C4' energy: -95.649 flat angles P-C4'-P energy: -57.813 tors. eta vs tors. theta energy: -84.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -863.767015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.767015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.767015 (E_RNA) where: Base-Base interactions energy: -527.603 where: short stacking energy: -267.590 Base-Backbone interact. energy: 0.513 local terms energy: -336.676649 where: bonds (distance) C4'-P energy: -79.967 bonds (distance) P-C4' energy: -82.921 flat angles C4'-P-C4' energy: -87.160 flat angles P-C4'-P energy: -48.230 tors. eta vs tors. theta energy: -38.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -566.581644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.581644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.581644 (E_RNA) where: Base-Base interactions energy: -308.356 where: short stacking energy: -198.816 Base-Backbone interact. energy: -1.651 local terms energy: -256.575275 where: bonds (distance) C4'-P energy: -47.439 bonds (distance) P-C4' energy: -77.294 flat angles C4'-P-C4' energy: -76.733 flat angles P-C4'-P energy: -43.764 tors. eta vs tors. theta energy: -11.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -487.899496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.899496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.899496 (E_RNA) where: Base-Base interactions energy: -252.720 where: short stacking energy: -144.944 Base-Backbone interact. energy: -1.874 local terms energy: -233.304802 where: bonds (distance) C4'-P energy: -68.042 bonds (distance) P-C4' energy: -75.833 flat angles C4'-P-C4' energy: -58.316 flat angles P-C4'-P energy: -35.105 tors. eta vs tors. theta energy: 3.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1703.042916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.042916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.042916 (E_RNA) where: Base-Base interactions energy: -1169.456 where: short stacking energy: -506.008 Base-Backbone interact. energy: -2.403 local terms energy: -531.183343 where: bonds (distance) C4'-P energy: -96.343 bonds (distance) P-C4' energy: -99.852 flat angles C4'-P-C4' energy: -101.945 flat angles P-C4'-P energy: -75.669 tors. eta vs tors. theta energy: -157.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1633.187067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.187067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.187067 (E_RNA) where: Base-Base interactions energy: -1125.828 where: short stacking energy: -494.098 Base-Backbone interact. energy: -3.299 local terms energy: -504.060296 where: bonds (distance) C4'-P energy: -90.278 bonds (distance) P-C4' energy: -90.683 flat angles C4'-P-C4' energy: -104.578 flat angles P-C4'-P energy: -75.628 tors. eta vs tors. theta energy: -142.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1500.369638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.369638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.369638 (E_RNA) where: Base-Base interactions energy: -1020.717 where: short stacking energy: -451.221 Base-Backbone interact. energy: -0.861 local terms energy: -478.791124 where: bonds (distance) C4'-P energy: -99.821 bonds (distance) P-C4' energy: -89.060 flat angles C4'-P-C4' energy: -98.135 flat angles P-C4'-P energy: -55.692 tors. eta vs tors. theta energy: -136.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1519.329807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.329807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.329807 (E_RNA) where: Base-Base interactions energy: -1041.385 where: short stacking energy: -448.791 Base-Backbone interact. energy: -2.856 local terms energy: -475.089476 where: bonds (distance) C4'-P energy: -91.034 bonds (distance) P-C4' energy: -96.236 flat angles C4'-P-C4' energy: -95.911 flat angles P-C4'-P energy: -59.143 tors. eta vs tors. theta energy: -132.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1431.583457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.583457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.583457 (E_RNA) where: Base-Base interactions energy: -985.662 where: short stacking energy: -444.559 Base-Backbone interact. energy: -0.902 local terms energy: -445.019716 where: bonds (distance) C4'-P energy: -72.388 bonds (distance) P-C4' energy: -84.287 flat angles C4'-P-C4' energy: -95.861 flat angles P-C4'-P energy: -65.066 tors. eta vs tors. theta energy: -127.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1269.560726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.560726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.560726 (E_RNA) where: Base-Base interactions energy: -873.034 where: short stacking energy: -383.767 Base-Backbone interact. energy: -2.699 local terms energy: -393.827333 where: bonds (distance) C4'-P energy: -74.457 bonds (distance) P-C4' energy: -80.721 flat angles C4'-P-C4' energy: -96.913 flat angles P-C4'-P energy: -49.039 tors. eta vs tors. theta energy: -92.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1102.967426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.967426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.967426 (E_RNA) where: Base-Base interactions energy: -689.133 where: short stacking energy: -327.890 Base-Backbone interact. energy: 0.436 local terms energy: -414.270678 where: bonds (distance) C4'-P energy: -91.471 bonds (distance) P-C4' energy: -75.827 flat angles C4'-P-C4' energy: -93.468 flat angles P-C4'-P energy: -62.780 tors. eta vs tors. theta energy: -90.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -856.524241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.524241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.524241 (E_RNA) where: Base-Base interactions energy: -499.876 where: short stacking energy: -245.880 Base-Backbone interact. energy: -0.029 local terms energy: -356.618727 where: bonds (distance) C4'-P energy: -72.949 bonds (distance) P-C4' energy: -91.209 flat angles C4'-P-C4' energy: -90.546 flat angles P-C4'-P energy: -59.180 tors. eta vs tors. theta energy: -42.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -532.737008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.737008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.737008 (E_RNA) where: Base-Base interactions energy: -286.842 where: short stacking energy: -176.768 Base-Backbone interact. energy: 1.945 local terms energy: -247.839843 where: bonds (distance) C4'-P energy: -67.017 bonds (distance) P-C4' energy: -72.276 flat angles C4'-P-C4' energy: -77.926 flat angles P-C4'-P energy: -25.631 tors. eta vs tors. theta energy: -4.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -485.585433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.585433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.585433 (E_RNA) where: Base-Base interactions energy: -233.828 where: short stacking energy: -121.335 Base-Backbone interact. energy: -2.810 local terms energy: -248.947397 where: bonds (distance) C4'-P energy: -77.940 bonds (distance) P-C4' energy: -85.632 flat angles C4'-P-C4' energy: -46.025 flat angles P-C4'-P energy: -41.356 tors. eta vs tors. theta energy: 2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1720.318864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.318864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.318864 (E_RNA) where: Base-Base interactions energy: -1178.165 where: short stacking energy: -519.328 Base-Backbone interact. energy: -2.889 local terms energy: -539.264279 where: bonds (distance) C4'-P energy: -100.112 bonds (distance) P-C4' energy: -90.737 flat angles C4'-P-C4' energy: -117.138 flat angles P-C4'-P energy: -74.207 tors. eta vs tors. theta energy: -157.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1646.827573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.827573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.827573 (E_RNA) where: Base-Base interactions energy: -1137.712 where: short stacking energy: -494.932 Base-Backbone interact. energy: 0.380 local terms energy: -509.495406 where: bonds (distance) C4'-P energy: -95.742 bonds (distance) P-C4' energy: -81.707 flat angles C4'-P-C4' energy: -113.877 flat angles P-C4'-P energy: -74.929 tors. eta vs tors. theta energy: -143.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1531.445354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.445354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.445354 (E_RNA) where: Base-Base interactions energy: -1047.151 where: short stacking energy: -466.990 Base-Backbone interact. energy: 1.875 local terms energy: -486.169868 where: bonds (distance) C4'-P energy: -97.170 bonds (distance) P-C4' energy: -87.526 flat angles C4'-P-C4' energy: -101.435 flat angles P-C4'-P energy: -66.361 tors. eta vs tors. theta energy: -133.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1458.003854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.003854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.003854 (E_RNA) where: Base-Base interactions energy: -1018.865 where: short stacking energy: -443.322 Base-Backbone interact. energy: 1.063 local terms energy: -440.202813 where: bonds (distance) C4'-P energy: -83.401 bonds (distance) P-C4' energy: -72.506 flat angles C4'-P-C4' energy: -86.396 flat angles P-C4'-P energy: -68.628 tors. eta vs tors. theta energy: -129.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -1411.330527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.330527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.330527 (E_RNA) where: Base-Base interactions energy: -970.066 where: short stacking energy: -409.324 Base-Backbone interact. energy: -1.191 local terms energy: -440.073749 where: bonds (distance) C4'-P energy: -79.778 bonds (distance) P-C4' energy: -84.616 flat angles C4'-P-C4' energy: -94.961 flat angles P-C4'-P energy: -57.981 tors. eta vs tors. theta energy: -122.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1339.704354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.704354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.704354 (E_RNA) where: Base-Base interactions energy: -906.237 where: short stacking energy: -401.309 Base-Backbone interact. energy: -1.953 local terms energy: -431.514766 where: bonds (distance) C4'-P energy: -87.728 bonds (distance) P-C4' energy: -83.568 flat angles C4'-P-C4' energy: -83.583 flat angles P-C4'-P energy: -66.486 tors. eta vs tors. theta energy: -110.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -1091.079606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.079606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.079606 (E_RNA) where: Base-Base interactions energy: -713.418 where: short stacking energy: -346.395 Base-Backbone interact. energy: -0.380 local terms energy: -377.281766 where: bonds (distance) C4'-P energy: -70.452 bonds (distance) P-C4' energy: -77.854 flat angles C4'-P-C4' energy: -88.820 flat angles P-C4'-P energy: -58.863 tors. eta vs tors. theta energy: -81.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -870.489850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.489850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.489850 (E_RNA) where: Base-Base interactions energy: -542.311 where: short stacking energy: -269.984 Base-Backbone interact. energy: -1.651 local terms energy: -326.527436 where: bonds (distance) C4'-P energy: -75.073 bonds (distance) P-C4' energy: -85.216 flat angles C4'-P-C4' energy: -67.370 flat angles P-C4'-P energy: -46.951 tors. eta vs tors. theta energy: -51.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -576.083675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.083675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.083675 (E_RNA) where: Base-Base interactions energy: -310.015 where: short stacking energy: -206.652 Base-Backbone interact. energy: -1.091 local terms energy: -264.977651 where: bonds (distance) C4'-P energy: -62.825 bonds (distance) P-C4' energy: -76.612 flat angles C4'-P-C4' energy: -70.714 flat angles P-C4'-P energy: -37.869 tors. eta vs tors. theta energy: -16.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -510.512173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.512173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.512173 (E_RNA) where: Base-Base interactions energy: -231.543 where: short stacking energy: -144.003 Base-Backbone interact. energy: -0.067 local terms energy: -278.902491 where: bonds (distance) C4'-P energy: -78.551 bonds (distance) P-C4' energy: -72.882 flat angles C4'-P-C4' energy: -68.643 flat angles P-C4'-P energy: -43.218 tors. eta vs tors. theta energy: -15.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1712.643144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.643144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.643144 (E_RNA) where: Base-Base interactions energy: -1179.794 where: short stacking energy: -529.730 Base-Backbone interact. energy: -1.940 local terms energy: -530.909050 where: bonds (distance) C4'-P energy: -96.692 bonds (distance) P-C4' energy: -91.380 flat angles C4'-P-C4' energy: -110.202 flat angles P-C4'-P energy: -72.941 tors. eta vs tors. theta energy: -159.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1623.012344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.012344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.012344 (E_RNA) where: Base-Base interactions energy: -1134.256 where: short stacking energy: -490.770 Base-Backbone interact. energy: -3.351 local terms energy: -485.404572 where: bonds (distance) C4'-P energy: -83.157 bonds (distance) P-C4' energy: -89.562 flat angles C4'-P-C4' energy: -100.844 flat angles P-C4'-P energy: -64.899 tors. eta vs tors. theta energy: -146.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1543.250390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.250390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.250390 (E_RNA) where: Base-Base interactions energy: -1031.903 where: short stacking energy: -469.885 Base-Backbone interact. energy: -0.832 local terms energy: -510.514630 where: bonds (distance) C4'-P energy: -83.555 bonds (distance) P-C4' energy: -98.243 flat angles C4'-P-C4' energy: -111.380 flat angles P-C4'-P energy: -72.669 tors. eta vs tors. theta energy: -144.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1474.008791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.008791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.008791 (E_RNA) where: Base-Base interactions energy: -1015.285 where: short stacking energy: -444.579 Base-Backbone interact. energy: -0.192 local terms energy: -458.532125 where: bonds (distance) C4'-P energy: -76.113 bonds (distance) P-C4' energy: -88.312 flat angles C4'-P-C4' energy: -100.408 flat angles P-C4'-P energy: -73.932 tors. eta vs tors. theta energy: -119.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1433.149683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.149683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.149683 (E_RNA) where: Base-Base interactions energy: -982.928 where: short stacking energy: -429.593 Base-Backbone interact. energy: -2.454 local terms energy: -447.767877 where: bonds (distance) C4'-P energy: -87.199 bonds (distance) P-C4' energy: -79.944 flat angles C4'-P-C4' energy: -93.791 flat angles P-C4'-P energy: -71.479 tors. eta vs tors. theta energy: -115.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1370.797001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.797001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.797001 (E_RNA) where: Base-Base interactions energy: -902.978 where: short stacking energy: -410.275 Base-Backbone interact. energy: -2.268 local terms energy: -465.550840 where: bonds (distance) C4'-P energy: -84.598 bonds (distance) P-C4' energy: -86.080 flat angles C4'-P-C4' energy: -100.186 flat angles P-C4'-P energy: -66.799 tors. eta vs tors. theta energy: -127.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1091.712905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.712905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.712905 (E_RNA) where: Base-Base interactions energy: -681.767 where: short stacking energy: -297.045 Base-Backbone interact. energy: -1.348 local terms energy: -408.597732 where: bonds (distance) C4'-P energy: -96.907 bonds (distance) P-C4' energy: -89.045 flat angles C4'-P-C4' energy: -82.272 flat angles P-C4'-P energy: -52.824 tors. eta vs tors. theta energy: -87.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -874.115368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.115368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.115368 (E_RNA) where: Base-Base interactions energy: -539.727 where: short stacking energy: -260.996 Base-Backbone interact. energy: -0.865 local terms energy: -333.524248 where: bonds (distance) C4'-P energy: -84.800 bonds (distance) P-C4' energy: -90.818 flat angles C4'-P-C4' energy: -60.776 flat angles P-C4'-P energy: -43.599 tors. eta vs tors. theta energy: -53.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -570.420814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.420814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.420814 (E_RNA) where: Base-Base interactions energy: -294.279 where: short stacking energy: -178.507 Base-Backbone interact. energy: 1.129 local terms energy: -277.270585 where: bonds (distance) C4'-P energy: -74.292 bonds (distance) P-C4' energy: -67.130 flat angles C4'-P-C4' energy: -63.836 flat angles P-C4'-P energy: -42.371 tors. eta vs tors. theta energy: -29.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -544.553309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.553309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.553309 (E_RNA) where: Base-Base interactions energy: -272.785 where: short stacking energy: -169.572 Base-Backbone interact. energy: 3.145 local terms energy: -274.912737 where: bonds (distance) C4'-P energy: -72.242 bonds (distance) P-C4' energy: -78.897 flat angles C4'-P-C4' energy: -66.675 flat angles P-C4'-P energy: -38.012 tors. eta vs tors. theta energy: -19.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1683.186693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.186693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.186693 (E_RNA) where: Base-Base interactions energy: -1151.769 where: short stacking energy: -477.734 Base-Backbone interact. energy: -3.611 local terms energy: -527.806660 where: bonds (distance) C4'-P energy: -99.211 bonds (distance) P-C4' energy: -88.262 flat angles C4'-P-C4' energy: -107.782 flat angles P-C4'-P energy: -72.715 tors. eta vs tors. theta energy: -159.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1627.631313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.631313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.631313 (E_RNA) where: Base-Base interactions energy: -1128.161 where: short stacking energy: -482.666 Base-Backbone interact. energy: -1.863 local terms energy: -497.607714 where: bonds (distance) C4'-P energy: -94.113 bonds (distance) P-C4' energy: -91.106 flat angles C4'-P-C4' energy: -100.501 flat angles P-C4'-P energy: -66.420 tors. eta vs tors. theta energy: -145.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1481.406005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.406005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.406005 (E_RNA) where: Base-Base interactions energy: -1004.010 where: short stacking energy: -438.964 Base-Backbone interact. energy: -1.229 local terms energy: -476.167587 where: bonds (distance) C4'-P energy: -93.539 bonds (distance) P-C4' energy: -96.344 flat angles C4'-P-C4' energy: -101.384 flat angles P-C4'-P energy: -63.485 tors. eta vs tors. theta energy: -121.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1470.490550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.490550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.490550 (E_RNA) where: Base-Base interactions energy: -1006.486 where: short stacking energy: -455.328 Base-Backbone interact. energy: -1.465 local terms energy: -462.539751 where: bonds (distance) C4'-P energy: -69.617 bonds (distance) P-C4' energy: -89.524 flat angles C4'-P-C4' energy: -95.936 flat angles P-C4'-P energy: -66.846 tors. eta vs tors. theta energy: -140.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1434.374907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.374907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.374907 (E_RNA) where: Base-Base interactions energy: -1011.834 where: short stacking energy: -418.247 Base-Backbone interact. energy: 2.029 local terms energy: -424.569691 where: bonds (distance) C4'-P energy: -83.570 bonds (distance) P-C4' energy: -80.111 flat angles C4'-P-C4' energy: -93.129 flat angles P-C4'-P energy: -52.948 tors. eta vs tors. theta energy: -114.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1371.267572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1371.267572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1371.267572 (E_RNA) where: Base-Base interactions energy: -927.656 where: short stacking energy: -410.276 Base-Backbone interact. energy: 2.727 local terms energy: -446.338514 where: bonds (distance) C4'-P energy: -80.214 bonds (distance) P-C4' energy: -85.938 flat angles C4'-P-C4' energy: -99.308 flat angles P-C4'-P energy: -64.347 tors. eta vs tors. theta energy: -116.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1042.672357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.672357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.672357 (E_RNA) where: Base-Base interactions energy: -650.321 where: short stacking energy: -323.748 Base-Backbone interact. energy: 0.121 local terms energy: -392.472795 where: bonds (distance) C4'-P energy: -86.335 bonds (distance) P-C4' energy: -81.428 flat angles C4'-P-C4' energy: -76.257 flat angles P-C4'-P energy: -68.149 tors. eta vs tors. theta energy: -80.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -898.174107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.174107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.174107 (E_RNA) where: Base-Base interactions energy: -565.667 where: short stacking energy: -280.399 Base-Backbone interact. energy: -0.339 local terms energy: -332.168198 where: bonds (distance) C4'-P energy: -71.122 bonds (distance) P-C4' energy: -78.971 flat angles C4'-P-C4' energy: -81.658 flat angles P-C4'-P energy: -48.828 tors. eta vs tors. theta energy: -51.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -519.439201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.439201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.439201 (E_RNA) where: Base-Base interactions energy: -249.878 where: short stacking energy: -162.269 Base-Backbone interact. energy: -4.927 local terms energy: -264.633662 where: bonds (distance) C4'-P energy: -73.930 bonds (distance) P-C4' energy: -69.850 flat angles C4'-P-C4' energy: -65.762 flat angles P-C4'-P energy: -46.985 tors. eta vs tors. theta energy: -8.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -478.220766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.220766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.220766 (E_RNA) where: Base-Base interactions energy: -217.882 where: short stacking energy: -158.633 Base-Backbone interact. energy: 0.738 local terms energy: -261.076615 where: bonds (distance) C4'-P energy: -72.952 bonds (distance) P-C4' energy: -77.921 flat angles C4'-P-C4' energy: -68.750 flat angles P-C4'-P energy: -25.813 tors. eta vs tors. theta energy: -15.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1699.771932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.771932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.771932 (E_RNA) where: Base-Base interactions energy: -1178.256 where: short stacking energy: -515.098 Base-Backbone interact. energy: -1.690 local terms energy: -519.825386 where: bonds (distance) C4'-P energy: -96.861 bonds (distance) P-C4' energy: -104.416 flat angles C4'-P-C4' energy: -100.713 flat angles P-C4'-P energy: -59.729 tors. eta vs tors. theta energy: -158.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1611.335484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.335484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.335484 (E_RNA) where: Base-Base interactions energy: -1117.773 where: short stacking energy: -487.115 Base-Backbone interact. energy: -3.874 local terms energy: -489.688593 where: bonds (distance) C4'-P energy: -87.544 bonds (distance) P-C4' energy: -96.832 flat angles C4'-P-C4' energy: -103.238 flat angles P-C4'-P energy: -56.900 tors. eta vs tors. theta energy: -145.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1508.597239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.597239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.597239 (E_RNA) where: Base-Base interactions energy: -1035.220 where: short stacking energy: -457.588 Base-Backbone interact. energy: -0.521 local terms energy: -472.855733 where: bonds (distance) C4'-P energy: -86.422 bonds (distance) P-C4' energy: -88.643 flat angles C4'-P-C4' energy: -101.508 flat angles P-C4'-P energy: -70.753 tors. eta vs tors. theta energy: -125.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1457.364065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.364065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.364065 (E_RNA) where: Base-Base interactions energy: -997.525 where: short stacking energy: -438.171 Base-Backbone interact. energy: -2.424 local terms energy: -457.415033 where: bonds (distance) C4'-P energy: -90.732 bonds (distance) P-C4' energy: -88.049 flat angles C4'-P-C4' energy: -90.723 flat angles P-C4'-P energy: -60.391 tors. eta vs tors. theta energy: -127.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1451.590847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.590847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.590847 (E_RNA) where: Base-Base interactions energy: -993.172 where: short stacking energy: -414.073 Base-Backbone interact. energy: 0.695 local terms energy: -459.113338 where: bonds (distance) C4'-P energy: -77.783 bonds (distance) P-C4' energy: -92.264 flat angles C4'-P-C4' energy: -96.353 flat angles P-C4'-P energy: -65.526 tors. eta vs tors. theta energy: -127.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1349.684901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.684901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.684901 (E_RNA) where: Base-Base interactions energy: -923.204 where: short stacking energy: -405.227 Base-Backbone interact. energy: -1.054 local terms energy: -425.426684 where: bonds (distance) C4'-P energy: -74.468 bonds (distance) P-C4' energy: -73.474 flat angles C4'-P-C4' energy: -92.853 flat angles P-C4'-P energy: -68.214 tors. eta vs tors. theta energy: -116.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1048.724652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.724652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.724652 (E_RNA) where: Base-Base interactions energy: -671.132 where: short stacking energy: -297.622 Base-Backbone interact. energy: -2.150 local terms energy: -375.443063 where: bonds (distance) C4'-P energy: -93.316 bonds (distance) P-C4' energy: -81.904 flat angles C4'-P-C4' energy: -90.463 flat angles P-C4'-P energy: -47.277 tors. eta vs tors. theta energy: -62.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -848.036477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.036477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.036477 (E_RNA) where: Base-Base interactions energy: -530.618 where: short stacking energy: -257.014 Base-Backbone interact. energy: -1.739 local terms energy: -315.679183 where: bonds (distance) C4'-P energy: -68.393 bonds (distance) P-C4' energy: -83.057 flat angles C4'-P-C4' energy: -66.903 flat angles P-C4'-P energy: -47.313 tors. eta vs tors. theta energy: -50.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -543.892867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.892867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.892867 (E_RNA) where: Base-Base interactions energy: -278.434 where: short stacking energy: -158.256 Base-Backbone interact. energy: -2.584 local terms energy: -262.874667 where: bonds (distance) C4'-P energy: -60.930 bonds (distance) P-C4' energy: -84.635 flat angles C4'-P-C4' energy: -76.511 flat angles P-C4'-P energy: -42.793 tors. eta vs tors. theta energy: 1.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -470.531895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.531895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.531895 (E_RNA) where: Base-Base interactions energy: -189.620 where: short stacking energy: -114.004 Base-Backbone interact. energy: -1.607 local terms energy: -279.304663 where: bonds (distance) C4'-P energy: -78.418 bonds (distance) P-C4' energy: -95.039 flat angles C4'-P-C4' energy: -65.524 flat angles P-C4'-P energy: -50.990 tors. eta vs tors. theta energy: 10.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1707.732719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.732719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.732719 (E_RNA) where: Base-Base interactions energy: -1161.978 where: short stacking energy: -511.900 Base-Backbone interact. energy: -2.763 local terms energy: -542.991222 where: bonds (distance) C4'-P energy: -97.513 bonds (distance) P-C4' energy: -94.447 flat angles C4'-P-C4' energy: -115.610 flat angles P-C4'-P energy: -83.048 tors. eta vs tors. theta energy: -152.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1606.665544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.665544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.665544 (E_RNA) where: Base-Base interactions energy: -1097.328 where: short stacking energy: -476.687 Base-Backbone interact. energy: -4.451 local terms energy: -504.886245 where: bonds (distance) C4'-P energy: -92.335 bonds (distance) P-C4' energy: -94.017 flat angles C4'-P-C4' energy: -97.556 flat angles P-C4'-P energy: -76.705 tors. eta vs tors. theta energy: -144.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1527.814815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.814815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.814815 (E_RNA) where: Base-Base interactions energy: -1073.120 where: short stacking energy: -468.566 Base-Backbone interact. energy: -1.861 local terms energy: -452.834289 where: bonds (distance) C4'-P energy: -84.699 bonds (distance) P-C4' energy: -91.812 flat angles C4'-P-C4' energy: -95.649 flat angles P-C4'-P energy: -54.188 tors. eta vs tors. theta energy: -126.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1461.064175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.064175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.064175 (E_RNA) where: Base-Base interactions energy: -986.801 where: short stacking energy: -434.980 Base-Backbone interact. energy: 1.496 local terms energy: -475.759923 where: bonds (distance) C4'-P energy: -94.237 bonds (distance) P-C4' energy: -87.955 flat angles C4'-P-C4' energy: -105.225 flat angles P-C4'-P energy: -60.704 tors. eta vs tors. theta energy: -127.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1476.798592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.798592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.798592 (E_RNA) where: Base-Base interactions energy: -1022.682 where: short stacking energy: -457.002 Base-Backbone interact. energy: -2.405 local terms energy: -451.711661 where: bonds (distance) C4'-P energy: -60.436 bonds (distance) P-C4' energy: -74.523 flat angles C4'-P-C4' energy: -103.906 flat angles P-C4'-P energy: -68.154 tors. eta vs tors. theta energy: -144.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1354.113504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.113504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.113504 (E_RNA) where: Base-Base interactions energy: -898.678 where: short stacking energy: -366.080 Base-Backbone interact. energy: -0.995 local terms energy: -454.441322 where: bonds (distance) C4'-P energy: -94.317 bonds (distance) P-C4' energy: -98.419 flat angles C4'-P-C4' energy: -91.183 flat angles P-C4'-P energy: -57.594 tors. eta vs tors. theta energy: -112.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1004.457201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.457201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.457201 (E_RNA) where: Base-Base interactions energy: -637.702 where: short stacking energy: -291.009 Base-Backbone interact. energy: -0.666 local terms energy: -366.089091 where: bonds (distance) C4'-P energy: -76.919 bonds (distance) P-C4' energy: -85.701 flat angles C4'-P-C4' energy: -79.305 flat angles P-C4'-P energy: -53.560 tors. eta vs tors. theta energy: -70.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -871.849532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.849532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.849532 (E_RNA) where: Base-Base interactions energy: -529.972 where: short stacking energy: -250.927 Base-Backbone interact. energy: -0.799 local terms energy: -341.078058 where: bonds (distance) C4'-P energy: -75.399 bonds (distance) P-C4' energy: -81.523 flat angles C4'-P-C4' energy: -78.589 flat angles P-C4'-P energy: -57.516 tors. eta vs tors. theta energy: -48.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -472.514827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.514827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.514827 (E_RNA) where: Base-Base interactions energy: -200.185 where: short stacking energy: -135.197 Base-Backbone interact. energy: -0.412 local terms energy: -271.917907 where: bonds (distance) C4'-P energy: -71.921 bonds (distance) P-C4' energy: -77.614 flat angles C4'-P-C4' energy: -75.560 flat angles P-C4'-P energy: -39.694 tors. eta vs tors. theta energy: -7.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -499.792970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.792970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.792970 (E_RNA) where: Base-Base interactions energy: -258.151 where: short stacking energy: -143.854 Base-Backbone interact. energy: -1.234 local terms energy: -240.407702 where: bonds (distance) C4'-P energy: -65.392 bonds (distance) P-C4' energy: -71.904 flat angles C4'-P-C4' energy: -73.879 flat angles P-C4'-P energy: -39.895 tors. eta vs tors. theta energy: 10.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1738.721851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.721851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.721851 (E_RNA) where: Base-Base interactions energy: -1196.587 where: short stacking energy: -518.160 Base-Backbone interact. energy: -2.799 local terms energy: -539.336101 where: bonds (distance) C4'-P energy: -93.231 bonds (distance) P-C4' energy: -99.788 flat angles C4'-P-C4' energy: -114.835 flat angles P-C4'-P energy: -67.833 tors. eta vs tors. theta energy: -163.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1629.574520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.574520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.574520 (E_RNA) where: Base-Base interactions energy: -1120.687 where: short stacking energy: -495.532 Base-Backbone interact. energy: -0.729 local terms energy: -508.157840 where: bonds (distance) C4'-P energy: -88.408 bonds (distance) P-C4' energy: -92.701 flat angles C4'-P-C4' energy: -101.893 flat angles P-C4'-P energy: -73.196 tors. eta vs tors. theta energy: -151.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1511.254531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.254531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.254531 (E_RNA) where: Base-Base interactions energy: -1041.420 where: short stacking energy: -457.354 Base-Backbone interact. energy: 0.788 local terms energy: -470.622892 where: bonds (distance) C4'-P energy: -80.398 bonds (distance) P-C4' energy: -85.561 flat angles C4'-P-C4' energy: -101.440 flat angles P-C4'-P energy: -75.987 tors. eta vs tors. theta energy: -127.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1514.801770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.801770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.801770 (E_RNA) where: Base-Base interactions energy: -1023.045 where: short stacking energy: -460.781 Base-Backbone interact. energy: -1.010 local terms energy: -490.746716 where: bonds (distance) C4'-P energy: -75.289 bonds (distance) P-C4' energy: -95.767 flat angles C4'-P-C4' energy: -104.935 flat angles P-C4'-P energy: -71.620 tors. eta vs tors. theta energy: -143.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1458.673411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.673411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.673411 (E_RNA) where: Base-Base interactions energy: -992.119 where: short stacking energy: -440.649 Base-Backbone interact. energy: 0.079 local terms energy: -466.633497 where: bonds (distance) C4'-P energy: -92.343 bonds (distance) P-C4' energy: -95.181 flat angles C4'-P-C4' energy: -98.413 flat angles P-C4'-P energy: -59.563 tors. eta vs tors. theta energy: -121.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1374.234504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.234504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.234504 (E_RNA) where: Base-Base interactions energy: -935.482 where: short stacking energy: -404.239 Base-Backbone interact. energy: 1.062 local terms energy: -439.814425 where: bonds (distance) C4'-P energy: -73.463 bonds (distance) P-C4' energy: -80.721 flat angles C4'-P-C4' energy: -106.272 flat angles P-C4'-P energy: -57.565 tors. eta vs tors. theta energy: -121.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -998.753922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.753922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.753922 (E_RNA) where: Base-Base interactions energy: -623.260 where: short stacking energy: -301.451 Base-Backbone interact. energy: -2.804 local terms energy: -372.689874 where: bonds (distance) C4'-P energy: -83.870 bonds (distance) P-C4' energy: -87.787 flat angles C4'-P-C4' energy: -96.776 flat angles P-C4'-P energy: -41.345 tors. eta vs tors. theta energy: -62.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -866.135688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.135688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.135688 (E_RNA) where: Base-Base interactions energy: -535.322 where: short stacking energy: -257.613 Base-Backbone interact. energy: -0.338 local terms energy: -330.476148 where: bonds (distance) C4'-P energy: -82.751 bonds (distance) P-C4' energy: -81.421 flat angles C4'-P-C4' energy: -78.963 flat angles P-C4'-P energy: -38.736 tors. eta vs tors. theta energy: -48.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -519.790814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.790814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.790814 (E_RNA) where: Base-Base interactions energy: -232.816 where: short stacking energy: -162.681 Base-Backbone interact. energy: 1.185 local terms energy: -288.159014 where: bonds (distance) C4'-P energy: -79.833 bonds (distance) P-C4' energy: -91.586 flat angles C4'-P-C4' energy: -75.154 flat angles P-C4'-P energy: -43.981 tors. eta vs tors. theta energy: 2.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -527.984710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.984710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.984710 (E_RNA) where: Base-Base interactions energy: -248.694 where: short stacking energy: -157.337 Base-Backbone interact. energy: 4.235 local terms energy: -283.525314 where: bonds (distance) C4'-P energy: -76.184 bonds (distance) P-C4' energy: -90.401 flat angles C4'-P-C4' energy: -72.606 flat angles P-C4'-P energy: -41.458 tors. eta vs tors. theta energy: -2.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1713.182606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.182606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.182606 (E_RNA) where: Base-Base interactions energy: -1187.237 where: short stacking energy: -527.281 Base-Backbone interact. energy: -1.664 local terms energy: -524.282350 where: bonds (distance) C4'-P energy: -95.033 bonds (distance) P-C4' energy: -87.704 flat angles C4'-P-C4' energy: -105.361 flat angles P-C4'-P energy: -71.294 tors. eta vs tors. theta energy: -164.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1635.223218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.223218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.223218 (E_RNA) where: Base-Base interactions energy: -1134.695 where: short stacking energy: -486.021 Base-Backbone interact. energy: -0.474 local terms energy: -500.054604 where: bonds (distance) C4'-P energy: -90.724 bonds (distance) P-C4' energy: -82.685 flat angles C4'-P-C4' energy: -100.563 flat angles P-C4'-P energy: -76.597 tors. eta vs tors. theta energy: -149.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1554.845512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.845512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.845512 (E_RNA) where: Base-Base interactions energy: -1045.352 where: short stacking energy: -461.143 Base-Backbone interact. energy: -2.549 local terms energy: -506.945340 where: bonds (distance) C4'-P energy: -90.763 bonds (distance) P-C4' energy: -93.667 flat angles C4'-P-C4' energy: -102.346 flat angles P-C4'-P energy: -73.599 tors. eta vs tors. theta energy: -146.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1487.305402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.305402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.305402 (E_RNA) where: Base-Base interactions energy: -1037.602 where: short stacking energy: -452.911 Base-Backbone interact. energy: -1.626 local terms energy: -448.077524 where: bonds (distance) C4'-P energy: -89.183 bonds (distance) P-C4' energy: -84.040 flat angles C4'-P-C4' energy: -95.743 flat angles P-C4'-P energy: -57.221 tors. eta vs tors. theta energy: -121.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1427.540142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.540142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.540142 (E_RNA) where: Base-Base interactions energy: -998.256 where: short stacking energy: -421.297 Base-Backbone interact. energy: -3.141 local terms energy: -426.143326 where: bonds (distance) C4'-P energy: -73.562 bonds (distance) P-C4' energy: -82.386 flat angles C4'-P-C4' energy: -109.824 flat angles P-C4'-P energy: -44.881 tors. eta vs tors. theta energy: -115.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1337.312501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.312501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.312501 (E_RNA) where: Base-Base interactions energy: -927.851 where: short stacking energy: -401.024 Base-Backbone interact. energy: 0.605 local terms energy: -410.067150 where: bonds (distance) C4'-P energy: -88.122 bonds (distance) P-C4' energy: -64.478 flat angles C4'-P-C4' energy: -95.728 flat angles P-C4'-P energy: -43.648 tors. eta vs tors. theta energy: -118.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1052.166367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.166367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.166367 (E_RNA) where: Base-Base interactions energy: -666.746 where: short stacking energy: -306.187 Base-Backbone interact. energy: 4.283 local terms energy: -389.703436 where: bonds (distance) C4'-P energy: -80.306 bonds (distance) P-C4' energy: -83.364 flat angles C4'-P-C4' energy: -98.605 flat angles P-C4'-P energy: -54.398 tors. eta vs tors. theta energy: -73.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -864.924029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.924029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.924029 (E_RNA) where: Base-Base interactions energy: -526.798 where: short stacking energy: -252.810 Base-Backbone interact. energy: -1.504 local terms energy: -336.622366 where: bonds (distance) C4'-P energy: -72.670 bonds (distance) P-C4' energy: -83.780 flat angles C4'-P-C4' energy: -83.611 flat angles P-C4'-P energy: -40.171 tors. eta vs tors. theta energy: -56.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -551.345379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.345379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.345379 (E_RNA) where: Base-Base interactions energy: -274.029 where: short stacking energy: -164.371 Base-Backbone interact. energy: -0.715 local terms energy: -276.601361 where: bonds (distance) C4'-P energy: -82.257 bonds (distance) P-C4' energy: -83.107 flat angles C4'-P-C4' energy: -60.325 flat angles P-C4'-P energy: -53.150 tors. eta vs tors. theta energy: 2.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -474.866329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.866329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.866329 (E_RNA) where: Base-Base interactions energy: -218.695 where: short stacking energy: -145.951 Base-Backbone interact. energy: 4.069 local terms energy: -260.240704 where: bonds (distance) C4'-P energy: -79.648 bonds (distance) P-C4' energy: -92.956 flat angles C4'-P-C4' energy: -60.622 flat angles P-C4'-P energy: -34.150 tors. eta vs tors. theta energy: 7.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1701.658102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.658102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.658102 (E_RNA) where: Base-Base interactions energy: -1174.542 where: short stacking energy: -495.841 Base-Backbone interact. energy: -1.126 local terms energy: -525.989702 where: bonds (distance) C4'-P energy: -79.268 bonds (distance) P-C4' energy: -102.484 flat angles C4'-P-C4' energy: -107.031 flat angles P-C4'-P energy: -80.399 tors. eta vs tors. theta energy: -156.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1622.868960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.868960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.868960 (E_RNA) where: Base-Base interactions energy: -1128.150 where: short stacking energy: -495.766 Base-Backbone interact. energy: 0.981 local terms energy: -495.700152 where: bonds (distance) C4'-P energy: -98.856 bonds (distance) P-C4' energy: -92.626 flat angles C4'-P-C4' energy: -102.945 flat angles P-C4'-P energy: -65.022 tors. eta vs tors. theta energy: -136.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1561.253568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.253568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.253568 (E_RNA) where: Base-Base interactions energy: -1048.809 where: short stacking energy: -472.654 Base-Backbone interact. energy: -2.611 local terms energy: -509.834021 where: bonds (distance) C4'-P energy: -90.165 bonds (distance) P-C4' energy: -88.168 flat angles C4'-P-C4' energy: -109.443 flat angles P-C4'-P energy: -76.293 tors. eta vs tors. theta energy: -145.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1449.738604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.738604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.738604 (E_RNA) where: Base-Base interactions energy: -1009.288 where: short stacking energy: -415.937 Base-Backbone interact. energy: -1.682 local terms energy: -438.769224 where: bonds (distance) C4'-P energy: -87.727 bonds (distance) P-C4' energy: -78.971 flat angles C4'-P-C4' energy: -99.049 flat angles P-C4'-P energy: -57.588 tors. eta vs tors. theta energy: -115.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1452.352323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.352323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.352323 (E_RNA) where: Base-Base interactions energy: -1009.880 where: short stacking energy: -430.024 Base-Backbone interact. energy: 3.178 local terms energy: -445.649758 where: bonds (distance) C4'-P energy: -76.219 bonds (distance) P-C4' energy: -77.460 flat angles C4'-P-C4' energy: -99.994 flat angles P-C4'-P energy: -65.756 tors. eta vs tors. theta energy: -126.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1353.315395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.315395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.315395 (E_RNA) where: Base-Base interactions energy: -925.359 where: short stacking energy: -412.683 Base-Backbone interact. energy: -0.824 local terms energy: -427.132872 where: bonds (distance) C4'-P energy: -73.812 bonds (distance) P-C4' energy: -87.086 flat angles C4'-P-C4' energy: -92.523 flat angles P-C4'-P energy: -64.561 tors. eta vs tors. theta energy: -109.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1070.100044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.100044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.100044 (E_RNA) where: Base-Base interactions energy: -690.969 where: short stacking energy: -331.394 Base-Backbone interact. energy: -0.001 local terms energy: -379.129879 where: bonds (distance) C4'-P energy: -77.908 bonds (distance) P-C4' energy: -89.024 flat angles C4'-P-C4' energy: -87.069 flat angles P-C4'-P energy: -44.720 tors. eta vs tors. theta energy: -80.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -930.560395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.560395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.560395 (E_RNA) where: Base-Base interactions energy: -573.213 where: short stacking energy: -282.706 Base-Backbone interact. energy: 1.641 local terms energy: -358.988131 where: bonds (distance) C4'-P energy: -71.750 bonds (distance) P-C4' energy: -80.952 flat angles C4'-P-C4' energy: -80.449 flat angles P-C4'-P energy: -59.642 tors. eta vs tors. theta energy: -66.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -542.415489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.415489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.415489 (E_RNA) where: Base-Base interactions energy: -267.422 where: short stacking energy: -161.135 Base-Backbone interact. energy: 0.925 local terms energy: -275.918013 where: bonds (distance) C4'-P energy: -83.158 bonds (distance) P-C4' energy: -71.633 flat angles C4'-P-C4' energy: -62.245 flat angles P-C4'-P energy: -42.689 tors. eta vs tors. theta energy: -16.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -488.387061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.387061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.387061 (E_RNA) where: Base-Base interactions energy: -217.733 where: short stacking energy: -140.133 Base-Backbone interact. energy: 0.539 local terms energy: -271.192299 where: bonds (distance) C4'-P energy: -79.713 bonds (distance) P-C4' energy: -81.369 flat angles C4'-P-C4' energy: -72.319 flat angles P-C4'-P energy: -40.729 tors. eta vs tors. theta energy: 2.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1699.278424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.278424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.278424 (E_RNA) where: Base-Base interactions energy: -1169.597 where: short stacking energy: -512.258 Base-Backbone interact. energy: -1.022 local terms energy: -528.659201 where: bonds (distance) C4'-P energy: -98.662 bonds (distance) P-C4' energy: -96.814 flat angles C4'-P-C4' energy: -99.679 flat angles P-C4'-P energy: -75.750 tors. eta vs tors. theta energy: -157.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1617.202661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.202661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.202661 (E_RNA) where: Base-Base interactions energy: -1116.406 where: short stacking energy: -486.189 Base-Backbone interact. energy: -3.976 local terms energy: -496.820006 where: bonds (distance) C4'-P energy: -79.509 bonds (distance) P-C4' energy: -88.126 flat angles C4'-P-C4' energy: -107.510 flat angles P-C4'-P energy: -77.841 tors. eta vs tors. theta energy: -143.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1553.296296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.296296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.296296 (E_RNA) where: Base-Base interactions energy: -1069.904 where: short stacking energy: -466.186 Base-Backbone interact. energy: -2.506 local terms energy: -480.885544 where: bonds (distance) C4'-P energy: -97.087 bonds (distance) P-C4' energy: -81.343 flat angles C4'-P-C4' energy: -99.156 flat angles P-C4'-P energy: -64.728 tors. eta vs tors. theta energy: -138.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1440.702097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.702097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.702097 (E_RNA) where: Base-Base interactions energy: -964.409 where: short stacking energy: -415.194 Base-Backbone interact. energy: -2.333 local terms energy: -473.959601 where: bonds (distance) C4'-P energy: -87.967 bonds (distance) P-C4' energy: -91.629 flat angles C4'-P-C4' energy: -105.616 flat angles P-C4'-P energy: -58.564 tors. eta vs tors. theta energy: -130.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1394.180091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.180091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.180091 (E_RNA) where: Base-Base interactions energy: -936.213 where: short stacking energy: -410.158 Base-Backbone interact. energy: -1.374 local terms energy: -456.592884 where: bonds (distance) C4'-P energy: -93.977 bonds (distance) P-C4' energy: -84.952 flat angles C4'-P-C4' energy: -95.885 flat angles P-C4'-P energy: -60.582 tors. eta vs tors. theta energy: -121.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -1363.004763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.004763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.004763 (E_RNA) where: Base-Base interactions energy: -937.911 where: short stacking energy: -404.325 Base-Backbone interact. energy: 0.597 local terms energy: -425.690178 where: bonds (distance) C4'-P energy: -73.573 bonds (distance) P-C4' energy: -75.820 flat angles C4'-P-C4' energy: -100.011 flat angles P-C4'-P energy: -66.122 tors. eta vs tors. theta energy: -110.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1059.845837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.845837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.845837 (E_RNA) where: Base-Base interactions energy: -678.244 where: short stacking energy: -316.179 Base-Backbone interact. energy: -0.194 local terms energy: -381.407187 where: bonds (distance) C4'-P energy: -78.077 bonds (distance) P-C4' energy: -73.674 flat angles C4'-P-C4' energy: -84.113 flat angles P-C4'-P energy: -62.845 tors. eta vs tors. theta energy: -82.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -878.768552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.768552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.768552 (E_RNA) where: Base-Base interactions energy: -535.592 where: short stacking energy: -263.602 Base-Backbone interact. energy: 0.842 local terms energy: -344.018287 where: bonds (distance) C4'-P energy: -70.023 bonds (distance) P-C4' energy: -92.565 flat angles C4'-P-C4' energy: -70.726 flat angles P-C4'-P energy: -43.432 tors. eta vs tors. theta energy: -67.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -571.267404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.267404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.267404 (E_RNA) where: Base-Base interactions energy: -294.699 where: short stacking energy: -177.041 Base-Backbone interact. energy: 0.099 local terms energy: -276.667834 where: bonds (distance) C4'-P energy: -82.003 bonds (distance) P-C4' energy: -77.051 flat angles C4'-P-C4' energy: -80.858 flat angles P-C4'-P energy: -21.601 tors. eta vs tors. theta energy: -15.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -472.107989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.107989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.107989 (E_RNA) where: Base-Base interactions energy: -220.265 where: short stacking energy: -139.431 Base-Backbone interact. energy: -1.378 local terms energy: -250.465089 where: bonds (distance) C4'-P energy: -59.703 bonds (distance) P-C4' energy: -75.088 flat angles C4'-P-C4' energy: -78.646 flat angles P-C4'-P energy: -36.439 tors. eta vs tors. theta energy: -0.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1720.740678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.740678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.740678 (E_RNA) where: Base-Base interactions energy: -1189.358 where: short stacking energy: -531.271 Base-Backbone interact. energy: -2.111 local terms energy: -529.271923 where: bonds (distance) C4'-P energy: -86.588 bonds (distance) P-C4' energy: -100.055 flat angles C4'-P-C4' energy: -106.326 flat angles P-C4'-P energy: -69.181 tors. eta vs tors. theta energy: -167.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1628.068117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.068117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.068117 (E_RNA) where: Base-Base interactions energy: -1132.273 where: short stacking energy: -485.314 Base-Backbone interact. energy: -0.331 local terms energy: -495.464829 where: bonds (distance) C4'-P energy: -86.784 bonds (distance) P-C4' energy: -88.951 flat angles C4'-P-C4' energy: -107.120 flat angles P-C4'-P energy: -72.719 tors. eta vs tors. theta energy: -139.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1554.378061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.378061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.378061 (E_RNA) where: Base-Base interactions energy: -1051.322 where: short stacking energy: -484.893 Base-Backbone interact. energy: -1.227 local terms energy: -501.829422 where: bonds (distance) C4'-P energy: -87.698 bonds (distance) P-C4' energy: -85.469 flat angles C4'-P-C4' energy: -104.958 flat angles P-C4'-P energy: -76.641 tors. eta vs tors. theta energy: -147.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1467.038595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.038595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.038595 (E_RNA) where: Base-Base interactions energy: -993.282 where: short stacking energy: -427.514 Base-Backbone interact. energy: -2.687 local terms energy: -471.069878 where: bonds (distance) C4'-P energy: -95.572 bonds (distance) P-C4' energy: -73.530 flat angles C4'-P-C4' energy: -103.739 flat angles P-C4'-P energy: -67.139 tors. eta vs tors. theta energy: -131.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1395.003079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.003079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.003079 (E_RNA) where: Base-Base interactions energy: -939.421 where: short stacking energy: -408.382 Base-Backbone interact. energy: -3.227 local terms energy: -452.354973 where: bonds (distance) C4'-P energy: -80.656 bonds (distance) P-C4' energy: -89.996 flat angles C4'-P-C4' energy: -90.333 flat angles P-C4'-P energy: -71.302 tors. eta vs tors. theta energy: -120.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1346.491193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.491193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.491193 (E_RNA) where: Base-Base interactions energy: -922.469 where: short stacking energy: -404.693 Base-Backbone interact. energy: -2.729 local terms energy: -421.293295 where: bonds (distance) C4'-P energy: -77.128 bonds (distance) P-C4' energy: -71.283 flat angles C4'-P-C4' energy: -98.778 flat angles P-C4'-P energy: -58.596 tors. eta vs tors. theta energy: -115.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1092.857177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.857177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.857177 (E_RNA) where: Base-Base interactions energy: -717.598 where: short stacking energy: -343.028 Base-Backbone interact. energy: 0.481 local terms energy: -375.740579 where: bonds (distance) C4'-P energy: -72.226 bonds (distance) P-C4' energy: -78.536 flat angles C4'-P-C4' energy: -84.900 flat angles P-C4'-P energy: -55.877 tors. eta vs tors. theta energy: -84.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -796.256807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.256807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.256807 (E_RNA) where: Base-Base interactions energy: -494.528 where: short stacking energy: -234.187 Base-Backbone interact. energy: -1.469 local terms energy: -300.259806 where: bonds (distance) C4'-P energy: -70.002 bonds (distance) P-C4' energy: -65.322 flat angles C4'-P-C4' energy: -66.625 flat angles P-C4'-P energy: -54.080 tors. eta vs tors. theta energy: -44.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -551.500317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.500317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.500317 (E_RNA) where: Base-Base interactions energy: -284.352 where: short stacking energy: -169.231 Base-Backbone interact. energy: 1.060 local terms energy: -268.208429 where: bonds (distance) C4'-P energy: -75.481 bonds (distance) P-C4' energy: -69.718 flat angles C4'-P-C4' energy: -78.228 flat angles P-C4'-P energy: -29.674 tors. eta vs tors. theta energy: -15.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -440.302294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.302294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.302294 (E_RNA) where: Base-Base interactions energy: -181.917 where: short stacking energy: -110.086 Base-Backbone interact. energy: -2.445 local terms energy: -255.940274 where: bonds (distance) C4'-P energy: -78.644 bonds (distance) P-C4' energy: -79.650 flat angles C4'-P-C4' energy: -67.773 flat angles P-C4'-P energy: -50.976 tors. eta vs tors. theta energy: 21.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1712.153806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.153806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.153806 (E_RNA) where: Base-Base interactions energy: -1174.778 where: short stacking energy: -510.058 Base-Backbone interact. energy: -1.131 local terms energy: -536.244238 where: bonds (distance) C4'-P energy: -90.399 bonds (distance) P-C4' energy: -102.010 flat angles C4'-P-C4' energy: -113.247 flat angles P-C4'-P energy: -69.738 tors. eta vs tors. theta energy: -160.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1608.422659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.422659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.422659 (E_RNA) where: Base-Base interactions energy: -1119.526 where: short stacking energy: -480.515 Base-Backbone interact. energy: -3.287 local terms energy: -485.609929 where: bonds (distance) C4'-P energy: -84.529 bonds (distance) P-C4' energy: -89.950 flat angles C4'-P-C4' energy: -100.833 flat angles P-C4'-P energy: -71.062 tors. eta vs tors. theta energy: -139.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1568.646586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.646586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.646586 (E_RNA) where: Base-Base interactions energy: -1071.446 where: short stacking energy: -479.586 Base-Backbone interact. energy: -3.366 local terms energy: -493.834400 where: bonds (distance) C4'-P energy: -88.828 bonds (distance) P-C4' energy: -85.667 flat angles C4'-P-C4' energy: -103.803 flat angles P-C4'-P energy: -67.742 tors. eta vs tors. theta energy: -147.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1479.201430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.201430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.201430 (E_RNA) where: Base-Base interactions energy: -1007.795 where: short stacking energy: -442.309 Base-Backbone interact. energy: -3.300 local terms energy: -468.106667 where: bonds (distance) C4'-P energy: -86.413 bonds (distance) P-C4' energy: -84.595 flat angles C4'-P-C4' energy: -101.421 flat angles P-C4'-P energy: -69.095 tors. eta vs tors. theta energy: -126.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1397.811355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.811355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.811355 (E_RNA) where: Base-Base interactions energy: -940.547 where: short stacking energy: -426.891 Base-Backbone interact. energy: -1.375 local terms energy: -455.889491 where: bonds (distance) C4'-P energy: -88.540 bonds (distance) P-C4' energy: -89.057 flat angles C4'-P-C4' energy: -93.906 flat angles P-C4'-P energy: -64.729 tors. eta vs tors. theta energy: -119.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1331.503558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.503558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.503558 (E_RNA) where: Base-Base interactions energy: -907.357 where: short stacking energy: -396.665 Base-Backbone interact. energy: -0.843 local terms energy: -423.303839 where: bonds (distance) C4'-P energy: -81.987 bonds (distance) P-C4' energy: -80.427 flat angles C4'-P-C4' energy: -91.553 flat angles P-C4'-P energy: -55.374 tors. eta vs tors. theta energy: -113.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1094.114074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.114074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.114074 (E_RNA) where: Base-Base interactions energy: -708.176 where: short stacking energy: -319.290 Base-Backbone interact. energy: 0.952 local terms energy: -386.889354 where: bonds (distance) C4'-P energy: -75.131 bonds (distance) P-C4' energy: -85.140 flat angles C4'-P-C4' energy: -89.718 flat angles P-C4'-P energy: -51.814 tors. eta vs tors. theta energy: -85.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -820.869014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.869014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.869014 (E_RNA) where: Base-Base interactions energy: -474.862 where: short stacking energy: -241.207 Base-Backbone interact. energy: -0.182 local terms energy: -345.825382 where: bonds (distance) C4'-P energy: -93.588 bonds (distance) P-C4' energy: -68.770 flat angles C4'-P-C4' energy: -69.299 flat angles P-C4'-P energy: -62.072 tors. eta vs tors. theta energy: -52.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -557.954561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.954561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.954561 (E_RNA) where: Base-Base interactions energy: -306.928 where: short stacking energy: -168.363 Base-Backbone interact. energy: 0.450 local terms energy: -251.476621 where: bonds (distance) C4'-P energy: -58.636 bonds (distance) P-C4' energy: -86.955 flat angles C4'-P-C4' energy: -55.184 flat angles P-C4'-P energy: -41.025 tors. eta vs tors. theta energy: -9.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -433.943548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.943548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.943548 (E_RNA) where: Base-Base interactions energy: -178.605 where: short stacking energy: -138.489 Base-Backbone interact. energy: 0.485 local terms energy: -255.823730 where: bonds (distance) C4'-P energy: -71.871 bonds (distance) P-C4' energy: -79.740 flat angles C4'-P-C4' energy: -74.610 flat angles P-C4'-P energy: -30.852 tors. eta vs tors. theta energy: 1.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1692.511823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.511823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.511823 (E_RNA) where: Base-Base interactions energy: -1149.900 where: short stacking energy: -503.078 Base-Backbone interact. energy: -0.892 local terms energy: -541.720273 where: bonds (distance) C4'-P energy: -100.730 bonds (distance) P-C4' energy: -101.607 flat angles C4'-P-C4' energy: -110.760 flat angles P-C4'-P energy: -73.386 tors. eta vs tors. theta energy: -155.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1634.246120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.246120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.246120 (E_RNA) where: Base-Base interactions energy: -1113.090 where: short stacking energy: -470.358 Base-Backbone interact. energy: -1.054 local terms energy: -520.102189 where: bonds (distance) C4'-P energy: -101.049 bonds (distance) P-C4' energy: -97.806 flat angles C4'-P-C4' energy: -108.398 flat angles P-C4'-P energy: -69.689 tors. eta vs tors. theta energy: -143.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1558.866769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.866769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.866769 (E_RNA) where: Base-Base interactions energy: -1083.288 where: short stacking energy: -480.640 Base-Backbone interact. energy: -1.353 local terms energy: -474.225551 where: bonds (distance) C4'-P energy: -76.158 bonds (distance) P-C4' energy: -89.248 flat angles C4'-P-C4' energy: -94.851 flat angles P-C4'-P energy: -62.850 tors. eta vs tors. theta energy: -151.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1467.921396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.921396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.921396 (E_RNA) where: Base-Base interactions energy: -991.549 where: short stacking energy: -439.398 Base-Backbone interact. energy: -1.544 local terms energy: -474.828833 where: bonds (distance) C4'-P energy: -98.266 bonds (distance) P-C4' energy: -74.007 flat angles C4'-P-C4' energy: -100.838 flat angles P-C4'-P energy: -72.495 tors. eta vs tors. theta energy: -129.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1436.917763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.917763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.917763 (E_RNA) where: Base-Base interactions energy: -979.192 where: short stacking energy: -437.196 Base-Backbone interact. energy: 1.093 local terms energy: -458.819512 where: bonds (distance) C4'-P energy: -78.903 bonds (distance) P-C4' energy: -99.400 flat angles C4'-P-C4' energy: -99.232 flat angles P-C4'-P energy: -58.548 tors. eta vs tors. theta energy: -122.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1382.017078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.017078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.017078 (E_RNA) where: Base-Base interactions energy: -977.171 where: short stacking energy: -425.325 Base-Backbone interact. energy: 5.049 local terms energy: -409.895198 where: bonds (distance) C4'-P energy: -67.964 bonds (distance) P-C4' energy: -89.873 flat angles C4'-P-C4' energy: -80.544 flat angles P-C4'-P energy: -58.009 tors. eta vs tors. theta energy: -113.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1078.774487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.774487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.774487 (E_RNA) where: Base-Base interactions energy: -684.664 where: short stacking energy: -335.373 Base-Backbone interact. energy: -2.938 local terms energy: -391.172997 where: bonds (distance) C4'-P energy: -79.560 bonds (distance) P-C4' energy: -86.982 flat angles C4'-P-C4' energy: -85.719 flat angles P-C4'-P energy: -51.631 tors. eta vs tors. theta energy: -87.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -857.465440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.465440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.465440 (E_RNA) where: Base-Base interactions energy: -516.706 where: short stacking energy: -254.271 Base-Backbone interact. energy: -0.682 local terms energy: -340.076988 where: bonds (distance) C4'-P energy: -79.536 bonds (distance) P-C4' energy: -76.979 flat angles C4'-P-C4' energy: -82.408 flat angles P-C4'-P energy: -53.401 tors. eta vs tors. theta energy: -47.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -517.966807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.966807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.966807 (E_RNA) where: Base-Base interactions energy: -262.228 where: short stacking energy: -145.745 Base-Backbone interact. energy: 0.407 local terms energy: -256.145720 where: bonds (distance) C4'-P energy: -56.535 bonds (distance) P-C4' energy: -85.028 flat angles C4'-P-C4' energy: -71.350 flat angles P-C4'-P energy: -51.456 tors. eta vs tors. theta energy: 8.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -451.187661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.187661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.187661 (E_RNA) where: Base-Base interactions energy: -199.898 where: short stacking energy: -129.828 Base-Backbone interact. energy: 4.947 local terms energy: -256.237131 where: bonds (distance) C4'-P energy: -61.666 bonds (distance) P-C4' energy: -77.627 flat angles C4'-P-C4' energy: -74.852 flat angles P-C4'-P energy: -45.115 tors. eta vs tors. theta energy: 3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1706.283243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.283243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.283243 (E_RNA) where: Base-Base interactions energy: -1169.196 where: short stacking energy: -523.732 Base-Backbone interact. energy: -1.671 local terms energy: -535.416349 where: bonds (distance) C4'-P energy: -90.868 bonds (distance) P-C4' energy: -98.485 flat angles C4'-P-C4' energy: -106.322 flat angles P-C4'-P energy: -71.157 tors. eta vs tors. theta energy: -168.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1618.914449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.914449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.914449 (E_RNA) where: Base-Base interactions energy: -1118.681 where: short stacking energy: -489.868 Base-Backbone interact. energy: 0.122 local terms energy: -500.355517 where: bonds (distance) C4'-P energy: -90.009 bonds (distance) P-C4' energy: -92.769 flat angles C4'-P-C4' energy: -105.017 flat angles P-C4'-P energy: -69.732 tors. eta vs tors. theta energy: -142.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1582.123307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.123307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.123307 (E_RNA) where: Base-Base interactions energy: -1076.189 where: short stacking energy: -467.955 Base-Backbone interact. energy: 0.165 local terms energy: -506.098869 where: bonds (distance) C4'-P energy: -88.956 bonds (distance) P-C4' energy: -98.042 flat angles C4'-P-C4' energy: -109.823 flat angles P-C4'-P energy: -66.734 tors. eta vs tors. theta energy: -142.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1447.936392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.936392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.936392 (E_RNA) where: Base-Base interactions energy: -969.422 where: short stacking energy: -417.160 Base-Backbone interact. energy: -4.569 local terms energy: -473.945026 where: bonds (distance) C4'-P energy: -94.824 bonds (distance) P-C4' energy: -89.489 flat angles C4'-P-C4' energy: -103.236 flat angles P-C4'-P energy: -65.256 tors. eta vs tors. theta energy: -121.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1450.078878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.078878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.078878 (E_RNA) where: Base-Base interactions energy: -990.896 where: short stacking energy: -443.571 Base-Backbone interact. energy: 1.313 local terms energy: -460.496178 where: bonds (distance) C4'-P energy: -76.666 bonds (distance) P-C4' energy: -89.767 flat angles C4'-P-C4' energy: -97.346 flat angles P-C4'-P energy: -70.256 tors. eta vs tors. theta energy: -126.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1335.340434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.340434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.340434 (E_RNA) where: Base-Base interactions energy: -903.295 where: short stacking energy: -404.857 Base-Backbone interact. energy: 0.326 local terms energy: -432.371336 where: bonds (distance) C4'-P energy: -81.667 bonds (distance) P-C4' energy: -86.058 flat angles C4'-P-C4' energy: -90.309 flat angles P-C4'-P energy: -59.249 tors. eta vs tors. theta energy: -115.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1115.193079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.193079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.193079 (E_RNA) where: Base-Base interactions energy: -717.016 where: short stacking energy: -336.937 Base-Backbone interact. energy: -0.338 local terms energy: -397.838943 where: bonds (distance) C4'-P energy: -75.517 bonds (distance) P-C4' energy: -84.086 flat angles C4'-P-C4' energy: -89.723 flat angles P-C4'-P energy: -64.623 tors. eta vs tors. theta energy: -83.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -824.945118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.945118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.945118 (E_RNA) where: Base-Base interactions energy: -511.128 where: short stacking energy: -254.551 Base-Backbone interact. energy: 2.475 local terms energy: -316.291826 where: bonds (distance) C4'-P energy: -69.214 bonds (distance) P-C4' energy: -75.404 flat angles C4'-P-C4' energy: -65.957 flat angles P-C4'-P energy: -56.388 tors. eta vs tors. theta energy: -49.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -494.544908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.544908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.544908 (E_RNA) where: Base-Base interactions energy: -239.298 where: short stacking energy: -148.020 Base-Backbone interact. energy: 7.842 local terms energy: -263.089203 where: bonds (distance) C4'-P energy: -68.844 bonds (distance) P-C4' energy: -87.600 flat angles C4'-P-C4' energy: -65.216 flat angles P-C4'-P energy: -33.057 tors. eta vs tors. theta energy: -8.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -408.825928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.825928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.825928 (E_RNA) where: Base-Base interactions energy: -154.042 where: short stacking energy: -123.228 Base-Backbone interact. energy: 1.688 local terms energy: -256.472246 where: bonds (distance) C4'-P energy: -88.699 bonds (distance) P-C4' energy: -86.346 flat angles C4'-P-C4' energy: -47.425 flat angles P-C4'-P energy: -41.435 tors. eta vs tors. theta energy: 7.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1714.279674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.279674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.279674 (E_RNA) where: Base-Base interactions energy: -1173.895 where: short stacking energy: -514.569 Base-Backbone interact. energy: -1.911 local terms energy: -538.473286 where: bonds (distance) C4'-P energy: -100.765 bonds (distance) P-C4' energy: -90.453 flat angles C4'-P-C4' energy: -112.001 flat angles P-C4'-P energy: -69.459 tors. eta vs tors. theta energy: -165.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1604.215777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.215777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.215777 (E_RNA) where: Base-Base interactions energy: -1114.959 where: short stacking energy: -487.639 Base-Backbone interact. energy: 1.097 local terms energy: -490.354055 where: bonds (distance) C4'-P energy: -90.480 bonds (distance) P-C4' energy: -81.329 flat angles C4'-P-C4' energy: -108.378 flat angles P-C4'-P energy: -71.497 tors. eta vs tors. theta energy: -138.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1579.050620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.050620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.050620 (E_RNA) where: Base-Base interactions energy: -1086.950 where: short stacking energy: -479.017 Base-Backbone interact. energy: -1.159 local terms energy: -490.941078 where: bonds (distance) C4'-P energy: -90.437 bonds (distance) P-C4' energy: -88.737 flat angles C4'-P-C4' energy: -105.687 flat angles P-C4'-P energy: -66.687 tors. eta vs tors. theta energy: -139.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1471.566307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.566307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.566307 (E_RNA) where: Base-Base interactions energy: -1020.035 where: short stacking energy: -409.549 Base-Backbone interact. energy: -2.525 local terms energy: -449.005594 where: bonds (distance) C4'-P energy: -93.295 bonds (distance) P-C4' energy: -81.623 flat angles C4'-P-C4' energy: -92.478 flat angles P-C4'-P energy: -64.711 tors. eta vs tors. theta energy: -116.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1459.804908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.804908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.804908 (E_RNA) where: Base-Base interactions energy: -988.220 where: short stacking energy: -428.335 Base-Backbone interact. energy: -2.785 local terms energy: -468.800381 where: bonds (distance) C4'-P energy: -82.500 bonds (distance) P-C4' energy: -97.804 flat angles C4'-P-C4' energy: -97.899 flat angles P-C4'-P energy: -65.196 tors. eta vs tors. theta energy: -125.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1332.158766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.158766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.158766 (E_RNA) where: Base-Base interactions energy: -890.908 where: short stacking energy: -404.307 Base-Backbone interact. energy: 0.514 local terms energy: -441.764295 where: bonds (distance) C4'-P energy: -77.916 bonds (distance) P-C4' energy: -78.269 flat angles C4'-P-C4' energy: -96.854 flat angles P-C4'-P energy: -65.206 tors. eta vs tors. theta energy: -123.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1123.299292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.299292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.299292 (E_RNA) where: Base-Base interactions energy: -726.829 where: short stacking energy: -347.356 Base-Backbone interact. energy: -0.736 local terms energy: -395.734672 where: bonds (distance) C4'-P energy: -84.534 bonds (distance) P-C4' energy: -72.000 flat angles C4'-P-C4' energy: -90.563 flat angles P-C4'-P energy: -52.130 tors. eta vs tors. theta energy: -96.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -840.356897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.356897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.356897 (E_RNA) where: Base-Base interactions energy: -489.791 where: short stacking energy: -251.066 Base-Backbone interact. energy: 1.763 local terms energy: -352.328551 where: bonds (distance) C4'-P energy: -86.840 bonds (distance) P-C4' energy: -84.437 flat angles C4'-P-C4' energy: -79.911 flat angles P-C4'-P energy: -49.181 tors. eta vs tors. theta energy: -51.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -490.786657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.786657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.786657 (E_RNA) where: Base-Base interactions energy: -233.571 where: short stacking energy: -126.987 Base-Backbone interact. energy: -2.111 local terms energy: -255.104629 where: bonds (distance) C4'-P energy: -72.442 bonds (distance) P-C4' energy: -94.086 flat angles C4'-P-C4' energy: -69.987 flat angles P-C4'-P energy: -36.944 tors. eta vs tors. theta energy: 18.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -387.657171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.657171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.657171 (E_RNA) where: Base-Base interactions energy: -144.484 where: short stacking energy: -120.892 Base-Backbone interact. energy: -0.375 local terms energy: -242.798675 where: bonds (distance) C4'-P energy: -85.595 bonds (distance) P-C4' energy: -71.467 flat angles C4'-P-C4' energy: -64.423 flat angles P-C4'-P energy: -25.836 tors. eta vs tors. theta energy: 4.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1661.587728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.587728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.587728 (E_RNA) where: Base-Base interactions energy: -1153.942 where: short stacking energy: -509.644 Base-Backbone interact. energy: 1.115 local terms energy: -508.760089 where: bonds (distance) C4'-P energy: -93.482 bonds (distance) P-C4' energy: -103.728 flat angles C4'-P-C4' energy: -99.050 flat angles P-C4'-P energy: -60.072 tors. eta vs tors. theta energy: -152.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1684.890520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.890520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.890520 (E_RNA) where: Base-Base interactions energy: -1145.955 where: short stacking energy: -517.870 Base-Backbone interact. energy: -1.495 local terms energy: -537.440723 where: bonds (distance) C4'-P energy: -97.812 bonds (distance) P-C4' energy: -95.597 flat angles C4'-P-C4' energy: -111.361 flat angles P-C4'-P energy: -76.236 tors. eta vs tors. theta energy: -156.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1543.151380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.151380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.151380 (E_RNA) where: Base-Base interactions energy: -1042.973 where: short stacking energy: -476.826 Base-Backbone interact. energy: 0.939 local terms energy: -501.117252 where: bonds (distance) C4'-P energy: -81.155 bonds (distance) P-C4' energy: -103.186 flat angles C4'-P-C4' energy: -112.297 flat angles P-C4'-P energy: -69.175 tors. eta vs tors. theta energy: -135.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1483.646130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.646130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.646130 (E_RNA) where: Base-Base interactions energy: -1024.022 where: short stacking energy: -448.714 Base-Backbone interact. energy: -1.611 local terms energy: -458.013297 where: bonds (distance) C4'-P energy: -79.091 bonds (distance) P-C4' energy: -81.401 flat angles C4'-P-C4' energy: -103.498 flat angles P-C4'-P energy: -72.164 tors. eta vs tors. theta energy: -121.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -1466.575140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.575140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.575140 (E_RNA) where: Base-Base interactions energy: -1002.645 where: short stacking energy: -438.861 Base-Backbone interact. energy: 0.343 local terms energy: -464.272858 where: bonds (distance) C4'-P energy: -78.887 bonds (distance) P-C4' energy: -98.719 flat angles C4'-P-C4' energy: -102.303 flat angles P-C4'-P energy: -60.491 tors. eta vs tors. theta energy: -123.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1297.911050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.911050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.911050 (E_RNA) where: Base-Base interactions energy: -861.548 where: short stacking energy: -400.519 Base-Backbone interact. energy: -3.339 local terms energy: -433.024246 where: bonds (distance) C4'-P energy: -78.914 bonds (distance) P-C4' energy: -78.466 flat angles C4'-P-C4' energy: -93.002 flat angles P-C4'-P energy: -58.765 tors. eta vs tors. theta energy: -123.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1110.322821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.322821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.322821 (E_RNA) where: Base-Base interactions energy: -711.729 where: short stacking energy: -348.536 Base-Backbone interact. energy: -0.470 local terms energy: -398.123834 where: bonds (distance) C4'-P energy: -71.161 bonds (distance) P-C4' energy: -82.266 flat angles C4'-P-C4' energy: -80.010 flat angles P-C4'-P energy: -72.694 tors. eta vs tors. theta energy: -91.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -883.910327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.910327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.910327 (E_RNA) where: Base-Base interactions energy: -533.861 where: short stacking energy: -242.303 Base-Backbone interact. energy: 0.013 local terms energy: -350.062174 where: bonds (distance) C4'-P energy: -79.704 bonds (distance) P-C4' energy: -87.379 flat angles C4'-P-C4' energy: -95.885 flat angles P-C4'-P energy: -29.106 tors. eta vs tors. theta energy: -57.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -493.127048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -493.127048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -493.127048 (E_RNA) where: Base-Base interactions energy: -227.916 where: short stacking energy: -142.556 Base-Backbone interact. energy: 5.378 local terms energy: -270.588228 where: bonds (distance) C4'-P energy: -73.478 bonds (distance) P-C4' energy: -89.083 flat angles C4'-P-C4' energy: -73.571 flat angles P-C4'-P energy: -38.094 tors. eta vs tors. theta energy: 3.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -387.789907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.789907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.789907 (E_RNA) where: Base-Base interactions energy: -116.597 where: short stacking energy: -101.529 Base-Backbone interact. energy: 4.520 local terms energy: -275.712980 where: bonds (distance) C4'-P energy: -83.328 bonds (distance) P-C4' energy: -83.536 flat angles C4'-P-C4' energy: -73.899 flat angles P-C4'-P energy: -40.705 tors. eta vs tors. theta energy: 5.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1645.890569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.890569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.890569 (E_RNA) where: Base-Base interactions energy: -1135.083 where: short stacking energy: -494.784 Base-Backbone interact. energy: -2.256 local terms energy: -508.550968 where: bonds (distance) C4'-P energy: -91.511 bonds (distance) P-C4' energy: -98.675 flat angles C4'-P-C4' energy: -110.669 flat angles P-C4'-P energy: -64.005 tors. eta vs tors. theta energy: -143.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1686.579207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.579207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.579207 (E_RNA) where: Base-Base interactions energy: -1153.466 where: short stacking energy: -508.500 Base-Backbone interact. energy: -1.016 local terms energy: -532.096537 where: bonds (distance) C4'-P energy: -99.232 bonds (distance) P-C4' energy: -93.771 flat angles C4'-P-C4' energy: -105.096 flat angles P-C4'-P energy: -72.763 tors. eta vs tors. theta energy: -161.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1564.420280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.420280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.420280 (E_RNA) where: Base-Base interactions energy: -1086.600 where: short stacking energy: -475.319 Base-Backbone interact. energy: 1.714 local terms energy: -479.534373 where: bonds (distance) C4'-P energy: -78.001 bonds (distance) P-C4' energy: -95.191 flat angles C4'-P-C4' energy: -100.078 flat angles P-C4'-P energy: -72.887 tors. eta vs tors. theta energy: -133.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1464.186106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.186106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.186106 (E_RNA) where: Base-Base interactions energy: -994.980 where: short stacking energy: -434.007 Base-Backbone interact. energy: -1.576 local terms energy: -467.629398 where: bonds (distance) C4'-P energy: -93.868 bonds (distance) P-C4' energy: -83.466 flat angles C4'-P-C4' energy: -96.790 flat angles P-C4'-P energy: -72.806 tors. eta vs tors. theta energy: -120.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1475.575415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.575415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.575415 (E_RNA) where: Base-Base interactions energy: -1022.699 where: short stacking energy: -441.701 Base-Backbone interact. energy: 1.619 local terms energy: -454.495985 where: bonds (distance) C4'-P energy: -92.969 bonds (distance) P-C4' energy: -80.787 flat angles C4'-P-C4' energy: -99.933 flat angles P-C4'-P energy: -60.051 tors. eta vs tors. theta energy: -120.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1276.011814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.011814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.011814 (E_RNA) where: Base-Base interactions energy: -854.007 where: short stacking energy: -392.621 Base-Backbone interact. energy: 0.128 local terms energy: -422.132543 where: bonds (distance) C4'-P energy: -87.948 bonds (distance) P-C4' energy: -82.215 flat angles C4'-P-C4' energy: -82.190 flat angles P-C4'-P energy: -54.238 tors. eta vs tors. theta energy: -115.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1093.076786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.076786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.076786 (E_RNA) where: Base-Base interactions energy: -707.314 where: short stacking energy: -315.624 Base-Backbone interact. energy: 1.414 local terms energy: -387.176312 where: bonds (distance) C4'-P energy: -79.372 bonds (distance) P-C4' energy: -81.375 flat angles C4'-P-C4' energy: -85.300 flat angles P-C4'-P energy: -58.983 tors. eta vs tors. theta energy: -82.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -867.754293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.754293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.754293 (E_RNA) where: Base-Base interactions energy: -537.283 where: short stacking energy: -270.018 Base-Backbone interact. energy: 5.264 local terms energy: -335.734885 where: bonds (distance) C4'-P energy: -70.967 bonds (distance) P-C4' energy: -87.482 flat angles C4'-P-C4' energy: -76.587 flat angles P-C4'-P energy: -58.052 tors. eta vs tors. theta energy: -42.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -538.139158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.139158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.139158 (E_RNA) where: Base-Base interactions energy: -257.487 where: short stacking energy: -151.536 Base-Backbone interact. energy: 0.724 local terms energy: -281.376595 where: bonds (distance) C4'-P energy: -78.274 bonds (distance) P-C4' energy: -68.990 flat angles C4'-P-C4' energy: -89.716 flat angles P-C4'-P energy: -48.411 tors. eta vs tors. theta energy: 4.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -383.169361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.169361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.169361 (E_RNA) where: Base-Base interactions energy: -130.425 where: short stacking energy: -112.025 Base-Backbone interact. energy: -1.745 local terms energy: -250.999760 where: bonds (distance) C4'-P energy: -74.904 bonds (distance) P-C4' energy: -87.315 flat angles C4'-P-C4' energy: -71.373 flat angles P-C4'-P energy: -36.773 tors. eta vs tors. theta energy: 19.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1654.356932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.356932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.356932 (E_RNA) where: Base-Base interactions energy: -1158.976 where: short stacking energy: -495.366 Base-Backbone interact. energy: -1.251 local terms energy: -494.130735 where: bonds (distance) C4'-P energy: -88.592 bonds (distance) P-C4' energy: -86.139 flat angles C4'-P-C4' energy: -106.532 flat angles P-C4'-P energy: -74.650 tors. eta vs tors. theta energy: -138.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1677.677841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.677841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.677841 (E_RNA) where: Base-Base interactions energy: -1137.855 where: short stacking energy: -504.028 Base-Backbone interact. energy: -1.512 local terms energy: -538.310246 where: bonds (distance) C4'-P energy: -83.917 bonds (distance) P-C4' energy: -92.779 flat angles C4'-P-C4' energy: -114.487 flat angles P-C4'-P energy: -87.733 tors. eta vs tors. theta energy: -159.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1564.582704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.582704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.582704 (E_RNA) where: Base-Base interactions energy: -1058.544 where: short stacking energy: -482.858 Base-Backbone interact. energy: -2.220 local terms energy: -503.819141 where: bonds (distance) C4'-P energy: -87.810 bonds (distance) P-C4' energy: -89.423 flat angles C4'-P-C4' energy: -116.706 flat angles P-C4'-P energy: -73.295 tors. eta vs tors. theta energy: -136.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1426.846598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.846598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.846598 (E_RNA) where: Base-Base interactions energy: -958.751 where: short stacking energy: -399.356 Base-Backbone interact. energy: -2.477 local terms energy: -465.617868 where: bonds (distance) C4'-P energy: -86.311 bonds (distance) P-C4' energy: -96.764 flat angles C4'-P-C4' energy: -95.424 flat angles P-C4'-P energy: -71.602 tors. eta vs tors. theta energy: -115.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1467.276921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.276921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.276921 (E_RNA) where: Base-Base interactions energy: -1027.765 where: short stacking energy: -446.267 Base-Backbone interact. energy: 1.626 local terms energy: -441.137578 where: bonds (distance) C4'-P energy: -75.125 bonds (distance) P-C4' energy: -83.387 flat angles C4'-P-C4' energy: -94.871 flat angles P-C4'-P energy: -62.934 tors. eta vs tors. theta energy: -124.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1284.737583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.737583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.737583 (E_RNA) where: Base-Base interactions energy: -823.028 where: short stacking energy: -381.644 Base-Backbone interact. energy: -1.091 local terms energy: -460.618570 where: bonds (distance) C4'-P energy: -87.894 bonds (distance) P-C4' energy: -99.626 flat angles C4'-P-C4' energy: -97.430 flat angles P-C4'-P energy: -63.749 tors. eta vs tors. theta energy: -111.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1075.387968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.387968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.387968 (E_RNA) where: Base-Base interactions energy: -706.197 where: short stacking energy: -341.046 Base-Backbone interact. energy: -1.247 local terms energy: -367.943788 where: bonds (distance) C4'-P energy: -62.663 bonds (distance) P-C4' energy: -78.905 flat angles C4'-P-C4' energy: -90.511 flat angles P-C4'-P energy: -53.139 tors. eta vs tors. theta energy: -82.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -825.125540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.125540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.125540 (E_RNA) where: Base-Base interactions energy: -507.726 where: short stacking energy: -251.348 Base-Backbone interact. energy: -2.184 local terms energy: -315.215603 where: bonds (distance) C4'-P energy: -69.159 bonds (distance) P-C4' energy: -77.199 flat angles C4'-P-C4' energy: -78.430 flat angles P-C4'-P energy: -44.818 tors. eta vs tors. theta energy: -45.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -544.117209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.117209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.117209 (E_RNA) where: Base-Base interactions energy: -265.642 where: short stacking energy: -160.729 Base-Backbone interact. energy: 0.419 local terms energy: -278.893754 where: bonds (distance) C4'-P energy: -78.802 bonds (distance) P-C4' energy: -79.058 flat angles C4'-P-C4' energy: -69.136 flat angles P-C4'-P energy: -51.289 tors. eta vs tors. theta energy: -0.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -384.510929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.510929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.510929 (E_RNA) where: Base-Base interactions energy: -144.514 where: short stacking energy: -117.414 Base-Backbone interact. energy: 0.739 local terms energy: -240.736005 where: bonds (distance) C4'-P energy: -69.032 bonds (distance) P-C4' energy: -76.640 flat angles C4'-P-C4' energy: -65.835 flat angles P-C4'-P energy: -39.786 tors. eta vs tors. theta energy: 10.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1643.299480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.299480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.299480 (E_RNA) where: Base-Base interactions energy: -1142.956 where: short stacking energy: -485.662 Base-Backbone interact. energy: -1.297 local terms energy: -499.046736 where: bonds (distance) C4'-P energy: -96.682 bonds (distance) P-C4' energy: -84.839 flat angles C4'-P-C4' energy: -103.461 flat angles P-C4'-P energy: -76.155 tors. eta vs tors. theta energy: -137.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1676.420068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.420068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.420068 (E_RNA) where: Base-Base interactions energy: -1135.744 where: short stacking energy: -512.513 Base-Backbone interact. energy: -2.144 local terms energy: -538.532509 where: bonds (distance) C4'-P energy: -94.062 bonds (distance) P-C4' energy: -94.156 flat angles C4'-P-C4' energy: -110.691 flat angles P-C4'-P energy: -75.138 tors. eta vs tors. theta energy: -164.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1518.670657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.670657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.670657 (E_RNA) where: Base-Base interactions energy: -1024.104 where: short stacking energy: -471.988 Base-Backbone interact. energy: -1.124 local terms energy: -493.443046 where: bonds (distance) C4'-P energy: -84.530 bonds (distance) P-C4' energy: -91.096 flat angles C4'-P-C4' energy: -106.994 flat angles P-C4'-P energy: -65.162 tors. eta vs tors. theta energy: -145.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1490.764419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.764419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.764419 (E_RNA) where: Base-Base interactions energy: -1023.832 where: short stacking energy: -428.149 Base-Backbone interact. energy: -0.666 local terms energy: -466.267218 where: bonds (distance) C4'-P energy: -80.082 bonds (distance) P-C4' energy: -95.883 flat angles C4'-P-C4' energy: -105.796 flat angles P-C4'-P energy: -65.700 tors. eta vs tors. theta energy: -118.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1401.419264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.419264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.419264 (E_RNA) where: Base-Base interactions energy: -978.932 where: short stacking energy: -396.297 Base-Backbone interact. energy: -5.124 local terms energy: -417.363823 where: bonds (distance) C4'-P energy: -72.536 bonds (distance) P-C4' energy: -78.376 flat angles C4'-P-C4' energy: -94.708 flat angles P-C4'-P energy: -58.098 tors. eta vs tors. theta energy: -113.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1280.051110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.051110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.051110 (E_RNA) where: Base-Base interactions energy: -868.501 where: short stacking energy: -405.538 Base-Backbone interact. energy: 0.717 local terms energy: -412.267339 where: bonds (distance) C4'-P energy: -84.765 bonds (distance) P-C4' energy: -82.844 flat angles C4'-P-C4' energy: -81.980 flat angles P-C4'-P energy: -52.747 tors. eta vs tors. theta energy: -109.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1156.850128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.850128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.850128 (E_RNA) where: Base-Base interactions energy: -778.012 where: short stacking energy: -348.953 Base-Backbone interact. energy: -0.350 local terms energy: -378.488525 where: bonds (distance) C4'-P energy: -73.489 bonds (distance) P-C4' energy: -79.275 flat angles C4'-P-C4' energy: -83.072 flat angles P-C4'-P energy: -55.122 tors. eta vs tors. theta energy: -87.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -816.687855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.687855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.687855 (E_RNA) where: Base-Base interactions energy: -481.453 where: short stacking energy: -236.993 Base-Backbone interact. energy: -1.116 local terms energy: -334.119496 where: bonds (distance) C4'-P energy: -68.032 bonds (distance) P-C4' energy: -88.519 flat angles C4'-P-C4' energy: -68.619 flat angles P-C4'-P energy: -53.666 tors. eta vs tors. theta energy: -55.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -579.099048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.099048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.099048 (E_RNA) where: Base-Base interactions energy: -305.890 where: short stacking energy: -173.431 Base-Backbone interact. energy: 0.768 local terms energy: -273.977210 where: bonds (distance) C4'-P energy: -68.268 bonds (distance) P-C4' energy: -75.167 flat angles C4'-P-C4' energy: -67.913 flat angles P-C4'-P energy: -54.237 tors. eta vs tors. theta energy: -8.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -397.679750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.679750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.679750 (E_RNA) where: Base-Base interactions energy: -172.868 where: short stacking energy: -119.347 Base-Backbone interact. energy: -0.523 local terms energy: -224.287959 where: bonds (distance) C4'-P energy: -74.518 bonds (distance) P-C4' energy: -63.998 flat angles C4'-P-C4' energy: -64.969 flat angles P-C4'-P energy: -36.536 tors. eta vs tors. theta energy: 15.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1698.812719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.812719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.812719 (E_RNA) where: Base-Base interactions energy: -1152.011 where: short stacking energy: -515.716 Base-Backbone interact. energy: -2.079 local terms energy: -544.722660 where: bonds (distance) C4'-P energy: -94.084 bonds (distance) P-C4' energy: -94.881 flat angles C4'-P-C4' energy: -106.254 flat angles P-C4'-P energy: -88.778 tors. eta vs tors. theta energy: -160.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1628.572094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.572094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.572094 (E_RNA) where: Base-Base interactions energy: -1145.820 where: short stacking energy: -487.875 Base-Backbone interact. energy: 1.607 local terms energy: -484.359501 where: bonds (distance) C4'-P energy: -85.776 bonds (distance) P-C4' energy: -93.010 flat angles C4'-P-C4' energy: -99.982 flat angles P-C4'-P energy: -61.996 tors. eta vs tors. theta energy: -143.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1520.645849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.645849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.645849 (E_RNA) where: Base-Base interactions energy: -1039.777 where: short stacking energy: -479.057 Base-Backbone interact. energy: -1.435 local terms energy: -479.434785 where: bonds (distance) C4'-P energy: -79.543 bonds (distance) P-C4' energy: -85.394 flat angles C4'-P-C4' energy: -105.698 flat angles P-C4'-P energy: -66.118 tors. eta vs tors. theta energy: -142.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1483.703647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.703647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.703647 (E_RNA) where: Base-Base interactions energy: -1021.913 where: short stacking energy: -426.477 Base-Backbone interact. energy: -4.577 local terms energy: -457.213941 where: bonds (distance) C4'-P energy: -81.441 bonds (distance) P-C4' energy: -85.626 flat angles C4'-P-C4' energy: -99.868 flat angles P-C4'-P energy: -69.156 tors. eta vs tors. theta energy: -121.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1431.706259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.706259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.706259 (E_RNA) where: Base-Base interactions energy: -1006.798 where: short stacking energy: -419.769 Base-Backbone interact. energy: -2.861 local terms energy: -422.048136 where: bonds (distance) C4'-P energy: -83.883 bonds (distance) P-C4' energy: -63.337 flat angles C4'-P-C4' energy: -92.868 flat angles P-C4'-P energy: -63.404 tors. eta vs tors. theta energy: -118.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1310.215678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.215678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.215678 (E_RNA) where: Base-Base interactions energy: -897.610 where: short stacking energy: -398.938 Base-Backbone interact. energy: -0.213 local terms energy: -412.392224 where: bonds (distance) C4'-P energy: -87.632 bonds (distance) P-C4' energy: -83.540 flat angles C4'-P-C4' energy: -68.159 flat angles P-C4'-P energy: -58.466 tors. eta vs tors. theta energy: -114.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1157.478250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.478250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.478250 (E_RNA) where: Base-Base interactions energy: -761.697 where: short stacking energy: -368.581 Base-Backbone interact. energy: -0.420 local terms energy: -395.360871 where: bonds (distance) C4'-P energy: -66.173 bonds (distance) P-C4' energy: -73.595 flat angles C4'-P-C4' energy: -79.570 flat angles P-C4'-P energy: -71.085 tors. eta vs tors. theta energy: -104.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -875.092008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.092008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.092008 (E_RNA) where: Base-Base interactions energy: -520.728 where: short stacking energy: -268.762 Base-Backbone interact. energy: -1.242 local terms energy: -353.121151 where: bonds (distance) C4'-P energy: -80.605 bonds (distance) P-C4' energy: -92.646 flat angles C4'-P-C4' energy: -75.974 flat angles P-C4'-P energy: -53.764 tors. eta vs tors. theta energy: -50.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -553.449216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.449216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.449216 (E_RNA) where: Base-Base interactions energy: -269.060 where: short stacking energy: -174.546 Base-Backbone interact. energy: 1.277 local terms energy: -285.666335 where: bonds (distance) C4'-P energy: -85.999 bonds (distance) P-C4' energy: -76.342 flat angles C4'-P-C4' energy: -67.933 flat angles P-C4'-P energy: -55.407 tors. eta vs tors. theta energy: 0.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -411.011985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.011985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.011985 (E_RNA) where: Base-Base interactions energy: -170.846 where: short stacking energy: -110.267 Base-Backbone interact. energy: -2.230 local terms energy: -237.936295 where: bonds (distance) C4'-P energy: -56.854 bonds (distance) P-C4' energy: -85.764 flat angles C4'-P-C4' energy: -64.503 flat angles P-C4'-P energy: -38.861 tors. eta vs tors. theta energy: 8.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1698.616679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.616679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.616679 (E_RNA) where: Base-Base interactions energy: -1172.493 where: short stacking energy: -514.324 Base-Backbone interact. energy: -1.894 local terms energy: -524.229121 where: bonds (distance) C4'-P energy: -97.391 bonds (distance) P-C4' energy: -92.515 flat angles C4'-P-C4' energy: -107.937 flat angles P-C4'-P energy: -64.986 tors. eta vs tors. theta energy: -161.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1621.771585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.771585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.771585 (E_RNA) where: Base-Base interactions energy: -1115.824 where: short stacking energy: -475.468 Base-Backbone interact. energy: -2.591 local terms energy: -503.356543 where: bonds (distance) C4'-P energy: -103.062 bonds (distance) P-C4' energy: -86.576 flat angles C4'-P-C4' energy: -98.198 flat angles P-C4'-P energy: -78.988 tors. eta vs tors. theta energy: -136.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1531.016674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.016674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.016674 (E_RNA) where: Base-Base interactions energy: -1030.410 where: short stacking energy: -471.345 Base-Backbone interact. energy: -0.374 local terms energy: -500.233094 where: bonds (distance) C4'-P energy: -94.058 bonds (distance) P-C4' energy: -92.422 flat angles C4'-P-C4' energy: -98.416 flat angles P-C4'-P energy: -74.476 tors. eta vs tors. theta energy: -140.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1473.738420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.738420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.738420 (E_RNA) where: Base-Base interactions energy: -999.473 where: short stacking energy: -403.472 Base-Backbone interact. energy: -1.465 local terms energy: -472.800453 where: bonds (distance) C4'-P energy: -79.211 bonds (distance) P-C4' energy: -98.894 flat angles C4'-P-C4' energy: -104.441 flat angles P-C4'-P energy: -66.857 tors. eta vs tors. theta energy: -123.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1417.784906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.784906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.784906 (E_RNA) where: Base-Base interactions energy: -986.268 where: short stacking energy: -418.006 Base-Backbone interact. energy: 0.077 local terms energy: -431.594302 where: bonds (distance) C4'-P energy: -73.664 bonds (distance) P-C4' energy: -86.657 flat angles C4'-P-C4' energy: -88.008 flat angles P-C4'-P energy: -59.709 tors. eta vs tors. theta energy: -123.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1355.795218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.795218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.795218 (E_RNA) where: Base-Base interactions energy: -923.648 where: short stacking energy: -428.390 Base-Backbone interact. energy: -0.430 local terms energy: -431.717302 where: bonds (distance) C4'-P energy: -80.146 bonds (distance) P-C4' energy: -79.046 flat angles C4'-P-C4' energy: -94.627 flat angles P-C4'-P energy: -60.923 tors. eta vs tors. theta energy: -116.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1152.552888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.552888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.552888 (E_RNA) where: Base-Base interactions energy: -730.116 where: short stacking energy: -342.296 Base-Backbone interact. energy: -1.856 local terms energy: -420.580835 where: bonds (distance) C4'-P energy: -89.964 bonds (distance) P-C4' energy: -82.569 flat angles C4'-P-C4' energy: -104.576 flat angles P-C4'-P energy: -52.746 tors. eta vs tors. theta energy: -90.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -841.562997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.562997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.562997 (E_RNA) where: Base-Base interactions energy: -483.297 where: short stacking energy: -235.656 Base-Backbone interact. energy: -0.054 local terms energy: -358.212681 where: bonds (distance) C4'-P energy: -79.268 bonds (distance) P-C4' energy: -83.295 flat angles C4'-P-C4' energy: -93.681 flat angles P-C4'-P energy: -54.374 tors. eta vs tors. theta energy: -47.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -558.925737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.925737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.925737 (E_RNA) where: Base-Base interactions energy: -291.684 where: short stacking energy: -162.078 Base-Backbone interact. energy: -1.660 local terms energy: -265.581371 where: bonds (distance) C4'-P energy: -69.967 bonds (distance) P-C4' energy: -88.094 flat angles C4'-P-C4' energy: -64.864 flat angles P-C4'-P energy: -28.972 tors. eta vs tors. theta energy: -13.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -434.198946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.198946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.198946 (E_RNA) where: Base-Base interactions energy: -169.584 where: short stacking energy: -135.383 Base-Backbone interact. energy: -2.096 local terms energy: -262.519095 where: bonds (distance) C4'-P energy: -88.071 bonds (distance) P-C4' energy: -72.891 flat angles C4'-P-C4' energy: -79.708 flat angles P-C4'-P energy: -22.398 tors. eta vs tors. theta energy: 0.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1712.823755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.823755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.823755 (E_RNA) where: Base-Base interactions energy: -1164.398 where: short stacking energy: -509.695 Base-Backbone interact. energy: -1.020 local terms energy: -547.405213 where: bonds (distance) C4'-P energy: -98.529 bonds (distance) P-C4' energy: -95.188 flat angles C4'-P-C4' energy: -119.094 flat angles P-C4'-P energy: -73.567 tors. eta vs tors. theta energy: -161.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1584.656006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.656006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.656006 (E_RNA) where: Base-Base interactions energy: -1085.463 where: short stacking energy: -447.635 Base-Backbone interact. energy: -0.718 local terms energy: -498.475776 where: bonds (distance) C4'-P energy: -106.818 bonds (distance) P-C4' energy: -89.237 flat angles C4'-P-C4' energy: -94.951 flat angles P-C4'-P energy: -75.261 tors. eta vs tors. theta energy: -132.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1548.274512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.274512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.274512 (E_RNA) where: Base-Base interactions energy: -1057.089 where: short stacking energy: -470.195 Base-Backbone interact. energy: -0.922 local terms energy: -490.263709 where: bonds (distance) C4'-P energy: -87.430 bonds (distance) P-C4' energy: -87.222 flat angles C4'-P-C4' energy: -106.844 flat angles P-C4'-P energy: -59.256 tors. eta vs tors. theta energy: -149.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1484.275131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.275131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.275131 (E_RNA) where: Base-Base interactions energy: -1022.495 where: short stacking energy: -435.037 Base-Backbone interact. energy: -1.983 local terms energy: -459.797032 where: bonds (distance) C4'-P energy: -81.012 bonds (distance) P-C4' energy: -86.654 flat angles C4'-P-C4' energy: -95.526 flat angles P-C4'-P energy: -63.400 tors. eta vs tors. theta energy: -133.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -1410.581973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.581973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.581973 (E_RNA) where: Base-Base interactions energy: -958.850 where: short stacking energy: -400.999 Base-Backbone interact. energy: 0.869 local terms energy: -452.600555 where: bonds (distance) C4'-P energy: -82.171 bonds (distance) P-C4' energy: -89.585 flat angles C4'-P-C4' energy: -103.328 flat angles P-C4'-P energy: -66.006 tors. eta vs tors. theta energy: -111.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1359.217941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.217941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.217941 (E_RNA) where: Base-Base interactions energy: -949.011 where: short stacking energy: -422.156 Base-Backbone interact. energy: -2.140 local terms energy: -408.066999 where: bonds (distance) C4'-P energy: -59.513 bonds (distance) P-C4' energy: -79.349 flat angles C4'-P-C4' energy: -97.977 flat angles P-C4'-P energy: -52.090 tors. eta vs tors. theta energy: -119.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1118.351271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.351271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.351271 (E_RNA) where: Base-Base interactions energy: -710.251 where: short stacking energy: -313.325 Base-Backbone interact. energy: -2.879 local terms energy: -405.221090 where: bonds (distance) C4'-P energy: -78.660 bonds (distance) P-C4' energy: -85.790 flat angles C4'-P-C4' energy: -90.543 flat angles P-C4'-P energy: -67.920 tors. eta vs tors. theta energy: -82.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -820.225747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.225747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.225747 (E_RNA) where: Base-Base interactions energy: -488.316 where: short stacking energy: -216.460 Base-Backbone interact. energy: 3.184 local terms energy: -335.093683 where: bonds (distance) C4'-P energy: -87.892 bonds (distance) P-C4' energy: -85.348 flat angles C4'-P-C4' energy: -67.555 flat angles P-C4'-P energy: -54.140 tors. eta vs tors. theta energy: -40.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -530.976261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.976261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.976261 (E_RNA) where: Base-Base interactions energy: -254.300 where: short stacking energy: -167.186 Base-Backbone interact. energy: -1.401 local terms energy: -275.275124 where: bonds (distance) C4'-P energy: -80.549 bonds (distance) P-C4' energy: -73.369 flat angles C4'-P-C4' energy: -76.926 flat angles P-C4'-P energy: -45.369 tors. eta vs tors. theta energy: 0.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -400.870206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.870206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.870206 (E_RNA) where: Base-Base interactions energy: -160.184 where: short stacking energy: -125.261 Base-Backbone interact. energy: 0.847 local terms energy: -241.533178 where: bonds (distance) C4'-P energy: -65.672 bonds (distance) P-C4' energy: -84.029 flat angles C4'-P-C4' energy: -69.064 flat angles P-C4'-P energy: -35.878 tors. eta vs tors. theta energy: 13.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1706.041923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.041923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.041923 (E_RNA) where: Base-Base interactions energy: -1165.859 where: short stacking energy: -516.312 Base-Backbone interact. energy: -2.478 local terms energy: -537.704601 where: bonds (distance) C4'-P energy: -83.152 bonds (distance) P-C4' energy: -94.871 flat angles C4'-P-C4' energy: -112.433 flat angles P-C4'-P energy: -76.121 tors. eta vs tors. theta energy: -171.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1598.036341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.036341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.036341 (E_RNA) where: Base-Base interactions energy: -1113.822 where: short stacking energy: -465.377 Base-Backbone interact. energy: -1.165 local terms energy: -483.049330 where: bonds (distance) C4'-P energy: -90.804 bonds (distance) P-C4' energy: -87.034 flat angles C4'-P-C4' energy: -95.105 flat angles P-C4'-P energy: -75.054 tors. eta vs tors. theta energy: -135.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1574.844811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.844811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.844811 (E_RNA) where: Base-Base interactions energy: -1061.626 where: short stacking energy: -469.646 Base-Backbone interact. energy: -1.308 local terms energy: -511.910446 where: bonds (distance) C4'-P energy: -93.502 bonds (distance) P-C4' energy: -101.073 flat angles C4'-P-C4' energy: -99.070 flat angles P-C4'-P energy: -68.895 tors. eta vs tors. theta energy: -149.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1500.804177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.804177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.804177 (E_RNA) where: Base-Base interactions energy: -1033.696 where: short stacking energy: -440.884 Base-Backbone interact. energy: -2.175 local terms energy: -464.933757 where: bonds (distance) C4'-P energy: -74.592 bonds (distance) P-C4' energy: -94.565 flat angles C4'-P-C4' energy: -103.235 flat angles P-C4'-P energy: -64.379 tors. eta vs tors. theta energy: -128.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1410.265518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.265518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.265518 (E_RNA) where: Base-Base interactions energy: -971.670 where: short stacking energy: -398.261 Base-Backbone interact. energy: -1.049 local terms energy: -437.546811 where: bonds (distance) C4'-P energy: -85.284 bonds (distance) P-C4' energy: -88.966 flat angles C4'-P-C4' energy: -96.282 flat angles P-C4'-P energy: -62.330 tors. eta vs tors. theta energy: -104.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1392.407475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.407475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.407475 (E_RNA) where: Base-Base interactions energy: -933.189 where: short stacking energy: -421.945 Base-Backbone interact. energy: -4.092 local terms energy: -455.125925 where: bonds (distance) C4'-P energy: -78.555 bonds (distance) P-C4' energy: -82.918 flat angles C4'-P-C4' energy: -101.387 flat angles P-C4'-P energy: -64.278 tors. eta vs tors. theta energy: -127.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1062.444274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.444274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.444274 (E_RNA) where: Base-Base interactions energy: -694.994 where: short stacking energy: -323.040 Base-Backbone interact. energy: -0.778 local terms energy: -366.672640 where: bonds (distance) C4'-P energy: -76.693 bonds (distance) P-C4' energy: -80.548 flat angles C4'-P-C4' energy: -85.036 flat angles P-C4'-P energy: -42.053 tors. eta vs tors. theta energy: -82.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -924.470937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.470937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.470937 (E_RNA) where: Base-Base interactions energy: -573.372 where: short stacking energy: -256.917 Base-Backbone interact. energy: -1.225 local terms energy: -349.874861 where: bonds (distance) C4'-P energy: -82.464 bonds (distance) P-C4' energy: -76.288 flat angles C4'-P-C4' energy: -80.583 flat angles P-C4'-P energy: -53.179 tors. eta vs tors. theta energy: -57.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -561.335501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.335501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.335501 (E_RNA) where: Base-Base interactions energy: -264.450 where: short stacking energy: -183.539 Base-Backbone interact. energy: 4.941 local terms energy: -301.826682 where: bonds (distance) C4'-P energy: -65.069 bonds (distance) P-C4' energy: -80.360 flat angles C4'-P-C4' energy: -84.812 flat angles P-C4'-P energy: -59.365 tors. eta vs tors. theta energy: -12.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -395.636560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.636560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.636560 (E_RNA) where: Base-Base interactions energy: -157.838 where: short stacking energy: -142.551 Base-Backbone interact. energy: -0.385 local terms energy: -237.413095 where: bonds (distance) C4'-P energy: -66.698 bonds (distance) P-C4' energy: -58.565 flat angles C4'-P-C4' energy: -70.825 flat angles P-C4'-P energy: -42.577 tors. eta vs tors. theta energy: 1.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1720.631767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.631767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.631767 (E_RNA) where: Base-Base interactions energy: -1189.756 where: short stacking energy: -518.729 Base-Backbone interact. energy: -0.889 local terms energy: -529.986609 where: bonds (distance) C4'-P energy: -90.909 bonds (distance) P-C4' energy: -90.494 flat angles C4'-P-C4' energy: -110.928 flat angles P-C4'-P energy: -74.536 tors. eta vs tors. theta energy: -163.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1621.677893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.677893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.677893 (E_RNA) where: Base-Base interactions energy: -1137.171 where: short stacking energy: -476.285 Base-Backbone interact. energy: -3.106 local terms energy: -481.400397 where: bonds (distance) C4'-P energy: -97.290 bonds (distance) P-C4' energy: -86.365 flat angles C4'-P-C4' energy: -93.031 flat angles P-C4'-P energy: -68.302 tors. eta vs tors. theta energy: -136.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1535.835283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.835283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.835283 (E_RNA) where: Base-Base interactions energy: -1059.711 where: short stacking energy: -454.004 Base-Backbone interact. energy: -0.709 local terms energy: -475.415186 where: bonds (distance) C4'-P energy: -79.503 bonds (distance) P-C4' energy: -90.319 flat angles C4'-P-C4' energy: -102.688 flat angles P-C4'-P energy: -69.263 tors. eta vs tors. theta energy: -133.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1490.441247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.441247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.441247 (E_RNA) where: Base-Base interactions energy: -1007.714 where: short stacking energy: -425.933 Base-Backbone interact. energy: -1.208 local terms energy: -481.519029 where: bonds (distance) C4'-P energy: -88.983 bonds (distance) P-C4' energy: -94.447 flat angles C4'-P-C4' energy: -104.025 flat angles P-C4'-P energy: -70.070 tors. eta vs tors. theta energy: -123.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -1434.538900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.538900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.538900 (E_RNA) where: Base-Base interactions energy: -990.207 where: short stacking energy: -406.836 Base-Backbone interact. energy: -2.717 local terms energy: -441.614766 where: bonds (distance) C4'-P energy: -87.111 bonds (distance) P-C4' energy: -83.459 flat angles C4'-P-C4' energy: -95.109 flat angles P-C4'-P energy: -52.711 tors. eta vs tors. theta energy: -123.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1298.376210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.376210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.376210 (E_RNA) where: Base-Base interactions energy: -894.271 where: short stacking energy: -387.911 Base-Backbone interact. energy: -0.015 local terms energy: -404.089906 where: bonds (distance) C4'-P energy: -72.918 bonds (distance) P-C4' energy: -81.596 flat angles C4'-P-C4' energy: -86.968 flat angles P-C4'-P energy: -58.176 tors. eta vs tors. theta energy: -104.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1035.620761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.620761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.620761 (E_RNA) where: Base-Base interactions energy: -673.966 where: short stacking energy: -312.752 Base-Backbone interact. energy: 1.801 local terms energy: -363.455816 where: bonds (distance) C4'-P energy: -71.384 bonds (distance) P-C4' energy: -74.127 flat angles C4'-P-C4' energy: -86.337 flat angles P-C4'-P energy: -60.536 tors. eta vs tors. theta energy: -71.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -928.821521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.821521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.821521 (E_RNA) where: Base-Base interactions energy: -594.665 where: short stacking energy: -290.897 Base-Backbone interact. energy: 0.370 local terms energy: -334.526184 where: bonds (distance) C4'-P energy: -61.957 bonds (distance) P-C4' energy: -70.007 flat angles C4'-P-C4' energy: -74.015 flat angles P-C4'-P energy: -62.090 tors. eta vs tors. theta energy: -66.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -502.026876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.026876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.026876 (E_RNA) where: Base-Base interactions energy: -237.147 where: short stacking energy: -139.986 Base-Backbone interact. energy: 2.539 local terms energy: -267.418543 where: bonds (distance) C4'-P energy: -74.526 bonds (distance) P-C4' energy: -74.595 flat angles C4'-P-C4' energy: -76.319 flat angles P-C4'-P energy: -49.255 tors. eta vs tors. theta energy: 7.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -425.235160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.235160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.235160 (E_RNA) where: Base-Base interactions energy: -170.502 where: short stacking energy: -129.469 Base-Backbone interact. energy: -0.690 local terms energy: -254.042217 where: bonds (distance) C4'-P energy: -63.657 bonds (distance) P-C4' energy: -84.619 flat angles C4'-P-C4' energy: -76.452 flat angles P-C4'-P energy: -35.510 tors. eta vs tors. theta energy: 6.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1706.046886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.046886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.046886 (E_RNA) where: Base-Base interactions energy: -1198.931 where: short stacking energy: -504.075 Base-Backbone interact. energy: -2.248 local terms energy: -504.867669 where: bonds (distance) C4'-P energy: -85.510 bonds (distance) P-C4' energy: -94.088 flat angles C4'-P-C4' energy: -106.853 flat angles P-C4'-P energy: -68.456 tors. eta vs tors. theta energy: -149.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1591.027907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.027907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.027907 (E_RNA) where: Base-Base interactions energy: -1102.154 where: short stacking energy: -462.629 Base-Backbone interact. energy: -3.489 local terms energy: -485.384216 where: bonds (distance) C4'-P energy: -87.197 bonds (distance) P-C4' energy: -86.619 flat angles C4'-P-C4' energy: -104.213 flat angles P-C4'-P energy: -74.883 tors. eta vs tors. theta energy: -132.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1538.993021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.993021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.993021 (E_RNA) where: Base-Base interactions energy: -1055.808 where: short stacking energy: -477.658 Base-Backbone interact. energy: 1.165 local terms energy: -484.349507 where: bonds (distance) C4'-P energy: -72.770 bonds (distance) P-C4' energy: -93.686 flat angles C4'-P-C4' energy: -107.517 flat angles P-C4'-P energy: -66.527 tors. eta vs tors. theta energy: -143.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1502.878765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.878765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.878765 (E_RNA) where: Base-Base interactions energy: -1045.904 where: short stacking energy: -455.772 Base-Backbone interact. energy: -2.867 local terms energy: -454.107285 where: bonds (distance) C4'-P energy: -74.285 bonds (distance) P-C4' energy: -84.861 flat angles C4'-P-C4' energy: -106.619 flat angles P-C4'-P energy: -60.054 tors. eta vs tors. theta energy: -128.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -1428.981678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.981678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.981678 (E_RNA) where: Base-Base interactions energy: -997.983 where: short stacking energy: -396.322 Base-Backbone interact. energy: -4.482 local terms energy: -426.516712 where: bonds (distance) C4'-P energy: -72.101 bonds (distance) P-C4' energy: -87.517 flat angles C4'-P-C4' energy: -86.987 flat angles P-C4'-P energy: -61.551 tors. eta vs tors. theta energy: -118.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1284.138005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.138005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.138005 (E_RNA) where: Base-Base interactions energy: -871.415 where: short stacking energy: -397.503 Base-Backbone interact. energy: 1.432 local terms energy: -414.155215 where: bonds (distance) C4'-P energy: -76.274 bonds (distance) P-C4' energy: -83.151 flat angles C4'-P-C4' energy: -86.065 flat angles P-C4'-P energy: -63.246 tors. eta vs tors. theta energy: -105.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -1077.604781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.604781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.604781 (E_RNA) where: Base-Base interactions energy: -697.775 where: short stacking energy: -330.423 Base-Backbone interact. energy: -1.527 local terms energy: -378.302741 where: bonds (distance) C4'-P energy: -74.761 bonds (distance) P-C4' energy: -78.712 flat angles C4'-P-C4' energy: -85.479 flat angles P-C4'-P energy: -53.834 tors. eta vs tors. theta energy: -85.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -888.470401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.470401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.470401 (E_RNA) where: Base-Base interactions energy: -548.891 where: short stacking energy: -259.404 Base-Backbone interact. energy: -0.504 local terms energy: -339.075469 where: bonds (distance) C4'-P energy: -69.447 bonds (distance) P-C4' energy: -76.097 flat angles C4'-P-C4' energy: -83.045 flat angles P-C4'-P energy: -52.764 tors. eta vs tors. theta energy: -57.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -544.515981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.515981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.515981 (E_RNA) where: Base-Base interactions energy: -241.635 where: short stacking energy: -151.059 Base-Backbone interact. energy: -0.200 local terms energy: -302.681482 where: bonds (distance) C4'-P energy: -89.844 bonds (distance) P-C4' energy: -83.135 flat angles C4'-P-C4' energy: -88.173 flat angles P-C4'-P energy: -41.620 tors. eta vs tors. theta energy: 0.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -447.549005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.549005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.549005 (E_RNA) where: Base-Base interactions energy: -192.741 where: short stacking energy: -114.326 Base-Backbone interact. energy: 1.611 local terms energy: -256.418954 where: bonds (distance) C4'-P energy: -85.388 bonds (distance) P-C4' energy: -75.867 flat angles C4'-P-C4' energy: -66.052 flat angles P-C4'-P energy: -38.814 tors. eta vs tors. theta energy: 9.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1708.915220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.915220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.915220 (E_RNA) where: Base-Base interactions energy: -1163.075 where: short stacking energy: -524.823 Base-Backbone interact. energy: -2.910 local terms energy: -542.930755 where: bonds (distance) C4'-P energy: -101.511 bonds (distance) P-C4' energy: -97.278 flat angles C4'-P-C4' energy: -109.081 flat angles P-C4'-P energy: -77.635 tors. eta vs tors. theta energy: -157.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1592.277922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.277922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.277922 (E_RNA) where: Base-Base interactions energy: -1128.289 where: short stacking energy: -459.403 Base-Backbone interact. energy: -3.962 local terms energy: -460.026906 where: bonds (distance) C4'-P energy: -78.273 bonds (distance) P-C4' energy: -82.375 flat angles C4'-P-C4' energy: -95.065 flat angles P-C4'-P energy: -74.368 tors. eta vs tors. theta energy: -129.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1528.781096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.781096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.781096 (E_RNA) where: Base-Base interactions energy: -1040.396 where: short stacking energy: -502.615 Base-Backbone interact. energy: 1.343 local terms energy: -489.727863 where: bonds (distance) C4'-P energy: -77.408 bonds (distance) P-C4' energy: -96.649 flat angles C4'-P-C4' energy: -106.847 flat angles P-C4'-P energy: -67.017 tors. eta vs tors. theta energy: -141.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1485.812299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.812299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.812299 (E_RNA) where: Base-Base interactions energy: -1018.436 where: short stacking energy: -422.252 Base-Backbone interact. energy: -2.591 local terms energy: -464.785540 where: bonds (distance) C4'-P energy: -93.373 bonds (distance) P-C4' energy: -84.682 flat angles C4'-P-C4' energy: -96.647 flat angles P-C4'-P energy: -66.220 tors. eta vs tors. theta energy: -123.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1414.882498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.882498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.882498 (E_RNA) where: Base-Base interactions energy: -986.403 where: short stacking energy: -406.480 Base-Backbone interact. energy: -2.338 local terms energy: -426.140998 where: bonds (distance) C4'-P energy: -71.355 bonds (distance) P-C4' energy: -93.445 flat angles C4'-P-C4' energy: -94.806 flat angles P-C4'-P energy: -55.546 tors. eta vs tors. theta energy: -110.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1233.623482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.623482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.623482 (E_RNA) where: Base-Base interactions energy: -823.407 where: short stacking energy: -366.731 Base-Backbone interact. energy: -2.645 local terms energy: -407.571844 where: bonds (distance) C4'-P energy: -61.898 bonds (distance) P-C4' energy: -81.233 flat angles C4'-P-C4' energy: -98.643 flat angles P-C4'-P energy: -60.915 tors. eta vs tors. theta energy: -104.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1012.346964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.346964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.346964 (E_RNA) where: Base-Base interactions energy: -637.252 where: short stacking energy: -278.769 Base-Backbone interact. energy: -2.892 local terms energy: -372.203177 where: bonds (distance) C4'-P energy: -78.163 bonds (distance) P-C4' energy: -84.328 flat angles C4'-P-C4' energy: -75.476 flat angles P-C4'-P energy: -65.355 tors. eta vs tors. theta energy: -68.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -902.054751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.054751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.054751 (E_RNA) where: Base-Base interactions energy: -546.524 where: short stacking energy: -242.582 Base-Backbone interact. energy: -1.161 local terms energy: -354.369611 where: bonds (distance) C4'-P energy: -82.171 bonds (distance) P-C4' energy: -95.373 flat angles C4'-P-C4' energy: -78.519 flat angles P-C4'-P energy: -48.905 tors. eta vs tors. theta energy: -49.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -469.522777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.522777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.522777 (E_RNA) where: Base-Base interactions energy: -215.453 where: short stacking energy: -116.346 Base-Backbone interact. energy: 1.687 local terms energy: -255.756926 where: bonds (distance) C4'-P energy: -75.292 bonds (distance) P-C4' energy: -79.425 flat angles C4'-P-C4' energy: -77.097 flat angles P-C4'-P energy: -36.782 tors. eta vs tors. theta energy: 12.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -505.330070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.330070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.330070 (E_RNA) where: Base-Base interactions energy: -256.584 where: short stacking energy: -143.401 Base-Backbone interact. energy: 0.515 local terms energy: -249.261172 where: bonds (distance) C4'-P energy: -78.969 bonds (distance) P-C4' energy: -68.214 flat angles C4'-P-C4' energy: -72.926 flat angles P-C4'-P energy: -43.251 tors. eta vs tors. theta energy: 14.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1723.512635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.512635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.512635 (E_RNA) where: Base-Base interactions energy: -1168.876 where: short stacking energy: -509.316 Base-Backbone interact. energy: -2.640 local terms energy: -551.996327 where: bonds (distance) C4'-P energy: -100.218 bonds (distance) P-C4' energy: -99.549 flat angles C4'-P-C4' energy: -119.774 flat angles P-C4'-P energy: -75.343 tors. eta vs tors. theta energy: -157.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1579.931442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.931442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.931442 (E_RNA) where: Base-Base interactions energy: -1094.125 where: short stacking energy: -463.525 Base-Backbone interact. energy: -1.830 local terms energy: -483.975562 where: bonds (distance) C4'-P energy: -96.799 bonds (distance) P-C4' energy: -91.887 flat angles C4'-P-C4' energy: -99.807 flat angles P-C4'-P energy: -66.054 tors. eta vs tors. theta energy: -129.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1516.248243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.248243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.248243 (E_RNA) where: Base-Base interactions energy: -1035.398 where: short stacking energy: -481.884 Base-Backbone interact. energy: -1.375 local terms energy: -479.475221 where: bonds (distance) C4'-P energy: -85.495 bonds (distance) P-C4' energy: -78.798 flat angles C4'-P-C4' energy: -97.470 flat angles P-C4'-P energy: -74.908 tors. eta vs tors. theta energy: -142.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1427.381442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.381442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.381442 (E_RNA) where: Base-Base interactions energy: -957.384 where: short stacking energy: -393.042 Base-Backbone interact. energy: 2.037 local terms energy: -472.034965 where: bonds (distance) C4'-P energy: -91.933 bonds (distance) P-C4' energy: -100.445 flat angles C4'-P-C4' energy: -104.415 flat angles P-C4'-P energy: -56.153 tors. eta vs tors. theta energy: -119.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1459.902961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.902961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.902961 (E_RNA) where: Base-Base interactions energy: -1029.192 where: short stacking energy: -441.937 Base-Backbone interact. energy: -1.424 local terms energy: -429.287038 where: bonds (distance) C4'-P energy: -92.223 bonds (distance) P-C4' energy: -67.621 flat angles C4'-P-C4' energy: -92.178 flat angles P-C4'-P energy: -64.789 tors. eta vs tors. theta energy: -112.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1279.481803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.481803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.481803 (E_RNA) where: Base-Base interactions energy: -845.628 where: short stacking energy: -379.253 Base-Backbone interact. energy: 0.505 local terms energy: -434.358971 where: bonds (distance) C4'-P energy: -85.783 bonds (distance) P-C4' energy: -85.981 flat angles C4'-P-C4' energy: -101.302 flat angles P-C4'-P energy: -57.910 tors. eta vs tors. theta energy: -103.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1027.130974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.130974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.130974 (E_RNA) where: Base-Base interactions energy: -636.399 where: short stacking energy: -329.046 Base-Backbone interact. energy: -1.572 local terms energy: -389.159301 where: bonds (distance) C4'-P energy: -86.668 bonds (distance) P-C4' energy: -83.865 flat angles C4'-P-C4' energy: -74.570 flat angles P-C4'-P energy: -64.835 tors. eta vs tors. theta energy: -79.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -941.319257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.319257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.319257 (E_RNA) where: Base-Base interactions energy: -597.022 where: short stacking energy: -272.471 Base-Backbone interact. energy: -1.335 local terms energy: -342.961685 where: bonds (distance) C4'-P energy: -87.373 bonds (distance) P-C4' energy: -76.953 flat angles C4'-P-C4' energy: -74.154 flat angles P-C4'-P energy: -58.250 tors. eta vs tors. theta energy: -46.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -494.032179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.032179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.032179 (E_RNA) where: Base-Base interactions energy: -226.535 where: short stacking energy: -143.878 Base-Backbone interact. energy: -1.511 local terms energy: -265.985890 where: bonds (distance) C4'-P energy: -65.489 bonds (distance) P-C4' energy: -80.438 flat angles C4'-P-C4' energy: -67.819 flat angles P-C4'-P energy: -43.012 tors. eta vs tors. theta energy: -9.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -490.622859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.622859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.622859 (E_RNA) where: Base-Base interactions energy: -233.599 where: short stacking energy: -114.355 Base-Backbone interact. energy: -2.597 local terms energy: -254.426283 where: bonds (distance) C4'-P energy: -84.198 bonds (distance) P-C4' energy: -82.889 flat angles C4'-P-C4' energy: -55.764 flat angles P-C4'-P energy: -37.512 tors. eta vs tors. theta energy: 5.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1707.194800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.194800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.194800 (E_RNA) where: Base-Base interactions energy: -1159.072 where: short stacking energy: -524.842 Base-Backbone interact. energy: -1.830 local terms energy: -546.292319 where: bonds (distance) C4'-P energy: -107.075 bonds (distance) P-C4' energy: -88.522 flat angles C4'-P-C4' energy: -116.758 flat angles P-C4'-P energy: -76.686 tors. eta vs tors. theta energy: -157.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1575.328404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.328404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.328404 (E_RNA) where: Base-Base interactions energy: -1080.333 where: short stacking energy: -454.011 Base-Backbone interact. energy: 3.313 local terms energy: -498.308802 where: bonds (distance) C4'-P energy: -87.863 bonds (distance) P-C4' energy: -96.650 flat angles C4'-P-C4' energy: -103.697 flat angles P-C4'-P energy: -73.892 tors. eta vs tors. theta energy: -136.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1517.857598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.857598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.857598 (E_RNA) where: Base-Base interactions energy: -1039.645 where: short stacking energy: -467.602 Base-Backbone interact. energy: 0.274 local terms energy: -478.487042 where: bonds (distance) C4'-P energy: -88.489 bonds (distance) P-C4' energy: -79.429 flat angles C4'-P-C4' energy: -95.948 flat angles P-C4'-P energy: -79.218 tors. eta vs tors. theta energy: -135.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1475.161388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.161388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.161388 (E_RNA) where: Base-Base interactions energy: -987.946 where: short stacking energy: -417.011 Base-Backbone interact. energy: -3.966 local terms energy: -483.248981 where: bonds (distance) C4'-P energy: -101.480 bonds (distance) P-C4' energy: -84.552 flat angles C4'-P-C4' energy: -103.217 flat angles P-C4'-P energy: -72.045 tors. eta vs tors. theta energy: -121.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1473.020230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.020230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.020230 (E_RNA) where: Base-Base interactions energy: -986.102 where: short stacking energy: -425.714 Base-Backbone interact. energy: -2.398 local terms energy: -484.520471 where: bonds (distance) C4'-P energy: -87.891 bonds (distance) P-C4' energy: -95.087 flat angles C4'-P-C4' energy: -99.364 flat angles P-C4'-P energy: -69.727 tors. eta vs tors. theta energy: -132.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1313.169775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.169775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.169775 (E_RNA) where: Base-Base interactions energy: -874.902 where: short stacking energy: -399.580 Base-Backbone interact. energy: -2.098 local terms energy: -436.170026 where: bonds (distance) C4'-P energy: -74.064 bonds (distance) P-C4' energy: -92.163 flat angles C4'-P-C4' energy: -91.204 flat angles P-C4'-P energy: -66.191 tors. eta vs tors. theta energy: -112.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -984.418815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.418815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.418815 (E_RNA) where: Base-Base interactions energy: -622.836 where: short stacking energy: -292.596 Base-Backbone interact. energy: -1.393 local terms energy: -360.189206 where: bonds (distance) C4'-P energy: -76.221 bonds (distance) P-C4' energy: -90.328 flat angles C4'-P-C4' energy: -75.160 flat angles P-C4'-P energy: -50.147 tors. eta vs tors. theta energy: -68.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -905.741827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.741827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.741827 (E_RNA) where: Base-Base interactions energy: -567.822 where: short stacking energy: -249.126 Base-Backbone interact. energy: -1.374 local terms energy: -336.545859 where: bonds (distance) C4'-P energy: -77.242 bonds (distance) P-C4' energy: -89.365 flat angles C4'-P-C4' energy: -68.156 flat angles P-C4'-P energy: -57.385 tors. eta vs tors. theta energy: -44.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -510.929078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.929078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.929078 (E_RNA) where: Base-Base interactions energy: -244.855 where: short stacking energy: -150.114 Base-Backbone interact. energy: -0.099 local terms energy: -265.974354 where: bonds (distance) C4'-P energy: -83.041 bonds (distance) P-C4' energy: -76.262 flat angles C4'-P-C4' energy: -63.558 flat angles P-C4'-P energy: -43.454 tors. eta vs tors. theta energy: 0.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -417.942587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.942587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.942587 (E_RNA) where: Base-Base interactions energy: -168.525 where: short stacking energy: -123.990 Base-Backbone interact. energy: -0.745 local terms energy: -248.672764 where: bonds (distance) C4'-P energy: -56.995 bonds (distance) P-C4' energy: -88.807 flat angles C4'-P-C4' energy: -55.929 flat angles P-C4'-P energy: -45.076 tors. eta vs tors. theta energy: -1.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1725.396483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.396483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.396483 (E_RNA) where: Base-Base interactions energy: -1189.752 where: short stacking energy: -503.339 Base-Backbone interact. energy: -3.076 local terms energy: -532.568667 where: bonds (distance) C4'-P energy: -98.012 bonds (distance) P-C4' energy: -100.139 flat angles C4'-P-C4' energy: -105.790 flat angles P-C4'-P energy: -72.563 tors. eta vs tors. theta energy: -156.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1586.352339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.352339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.352339 (E_RNA) where: Base-Base interactions energy: -1071.914 where: short stacking energy: -464.746 Base-Backbone interact. energy: -3.545 local terms energy: -510.893377 where: bonds (distance) C4'-P energy: -100.171 bonds (distance) P-C4' energy: -98.935 flat angles C4'-P-C4' energy: -105.052 flat angles P-C4'-P energy: -63.353 tors. eta vs tors. theta energy: -143.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1537.573117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.573117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.573117 (E_RNA) where: Base-Base interactions energy: -1054.834 where: short stacking energy: -466.873 Base-Backbone interact. energy: -2.501 local terms energy: -480.238335 where: bonds (distance) C4'-P energy: -82.477 bonds (distance) P-C4' energy: -79.389 flat angles C4'-P-C4' energy: -100.247 flat angles P-C4'-P energy: -77.287 tors. eta vs tors. theta energy: -140.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1481.375426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.375426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.375426 (E_RNA) where: Base-Base interactions energy: -1021.344 where: short stacking energy: -440.152 Base-Backbone interact. energy: -3.157 local terms energy: -456.873729 where: bonds (distance) C4'-P energy: -85.100 bonds (distance) P-C4' energy: -89.932 flat angles C4'-P-C4' energy: -101.795 flat angles P-C4'-P energy: -57.513 tors. eta vs tors. theta energy: -122.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1428.436750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.436750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.436750 (E_RNA) where: Base-Base interactions energy: -985.095 where: short stacking energy: -456.883 Base-Backbone interact. energy: -3.330 local terms energy: -440.011603 where: bonds (distance) C4'-P energy: -73.438 bonds (distance) P-C4' energy: -81.094 flat angles C4'-P-C4' energy: -94.519 flat angles P-C4'-P energy: -66.426 tors. eta vs tors. theta energy: -124.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1277.430462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.430462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.430462 (E_RNA) where: Base-Base interactions energy: -856.363 where: short stacking energy: -392.582 Base-Backbone interact. energy: -1.655 local terms energy: -419.411821 where: bonds (distance) C4'-P energy: -59.585 bonds (distance) P-C4' energy: -79.883 flat angles C4'-P-C4' energy: -103.243 flat angles P-C4'-P energy: -65.225 tors. eta vs tors. theta energy: -111.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -993.601522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.601522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.601522 (E_RNA) where: Base-Base interactions energy: -638.448 where: short stacking energy: -302.183 Base-Backbone interact. energy: -0.711 local terms energy: -354.442301 where: bonds (distance) C4'-P energy: -71.807 bonds (distance) P-C4' energy: -74.302 flat angles C4'-P-C4' energy: -92.132 flat angles P-C4'-P energy: -54.903 tors. eta vs tors. theta energy: -61.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -963.129735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.129735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.129735 (E_RNA) where: Base-Base interactions energy: -633.833 where: short stacking energy: -293.000 Base-Backbone interact. energy: 4.449 local terms energy: -333.746156 where: bonds (distance) C4'-P energy: -80.471 bonds (distance) P-C4' energy: -82.874 flat angles C4'-P-C4' energy: -70.512 flat angles P-C4'-P energy: -43.546 tors. eta vs tors. theta energy: -56.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -541.704491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.704491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.704491 (E_RNA) where: Base-Base interactions energy: -262.443 where: short stacking energy: -164.137 Base-Backbone interact. energy: -0.499 local terms energy: -278.763169 where: bonds (distance) C4'-P energy: -77.641 bonds (distance) P-C4' energy: -72.183 flat angles C4'-P-C4' energy: -69.818 flat angles P-C4'-P energy: -44.347 tors. eta vs tors. theta energy: -14.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -385.209246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.209246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.209246 (E_RNA) where: Base-Base interactions energy: -142.791 where: short stacking energy: -133.338 Base-Backbone interact. energy: -1.750 local terms energy: -240.667589 where: bonds (distance) C4'-P energy: -64.042 bonds (distance) P-C4' energy: -78.442 flat angles C4'-P-C4' energy: -59.777 flat angles P-C4'-P energy: -48.701 tors. eta vs tors. theta energy: 10.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1715.487134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.487134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.487134 (E_RNA) where: Base-Base interactions energy: -1167.290 where: short stacking energy: -512.982 Base-Backbone interact. energy: -3.344 local terms energy: -544.853428 where: bonds (distance) C4'-P energy: -100.508 bonds (distance) P-C4' energy: -103.310 flat angles C4'-P-C4' energy: -106.617 flat angles P-C4'-P energy: -71.098 tors. eta vs tors. theta energy: -163.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1605.987813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.987813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.987813 (E_RNA) where: Base-Base interactions energy: -1131.764 where: short stacking energy: -477.325 Base-Backbone interact. energy: -1.284 local terms energy: -472.940662 where: bonds (distance) C4'-P energy: -87.537 bonds (distance) P-C4' energy: -79.375 flat angles C4'-P-C4' energy: -100.938 flat angles P-C4'-P energy: -64.486 tors. eta vs tors. theta energy: -140.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1518.068411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.068411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.068411 (E_RNA) where: Base-Base interactions energy: -1034.404 where: short stacking energy: -463.350 Base-Backbone interact. energy: -2.029 local terms energy: -481.635567 where: bonds (distance) C4'-P energy: -93.501 bonds (distance) P-C4' energy: -91.009 flat angles C4'-P-C4' energy: -88.903 flat angles P-C4'-P energy: -65.742 tors. eta vs tors. theta energy: -142.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1500.213148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.213148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.213148 (E_RNA) where: Base-Base interactions energy: -1024.884 where: short stacking energy: -451.614 Base-Backbone interact. energy: -0.929 local terms energy: -474.400052 where: bonds (distance) C4'-P energy: -81.585 bonds (distance) P-C4' energy: -89.236 flat angles C4'-P-C4' energy: -100.094 flat angles P-C4'-P energy: -62.748 tors. eta vs tors. theta energy: -140.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1401.123281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.123281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.123281 (E_RNA) where: Base-Base interactions energy: -935.988 where: short stacking energy: -416.362 Base-Backbone interact. energy: -3.050 local terms energy: -462.085551 where: bonds (distance) C4'-P energy: -83.958 bonds (distance) P-C4' energy: -92.561 flat angles C4'-P-C4' energy: -94.963 flat angles P-C4'-P energy: -67.804 tors. eta vs tors. theta energy: -122.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1286.661025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.661025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.661025 (E_RNA) where: Base-Base interactions energy: -854.995 where: short stacking energy: -384.343 Base-Backbone interact. energy: -1.807 local terms energy: -429.859133 where: bonds (distance) C4'-P energy: -89.650 bonds (distance) P-C4' energy: -75.755 flat angles C4'-P-C4' energy: -94.923 flat angles P-C4'-P energy: -65.264 tors. eta vs tors. theta energy: -104.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1008.423605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.423605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.423605 (E_RNA) where: Base-Base interactions energy: -651.316 where: short stacking energy: -310.744 Base-Backbone interact. energy: -1.126 local terms energy: -355.981942 where: bonds (distance) C4'-P energy: -74.490 bonds (distance) P-C4' energy: -76.788 flat angles C4'-P-C4' energy: -78.786 flat angles P-C4'-P energy: -55.641 tors. eta vs tors. theta energy: -70.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -905.498924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.498924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.498924 (E_RNA) where: Base-Base interactions energy: -578.052 where: short stacking energy: -261.009 Base-Backbone interact. energy: -2.279 local terms energy: -325.167489 where: bonds (distance) C4'-P energy: -71.078 bonds (distance) P-C4' energy: -81.096 flat angles C4'-P-C4' energy: -79.324 flat angles P-C4'-P energy: -45.616 tors. eta vs tors. theta energy: -48.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -504.267241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.267241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.267241 (E_RNA) where: Base-Base interactions energy: -243.024 where: short stacking energy: -165.339 Base-Backbone interact. energy: 1.956 local terms energy: -263.199279 where: bonds (distance) C4'-P energy: -78.633 bonds (distance) P-C4' energy: -75.942 flat angles C4'-P-C4' energy: -68.234 flat angles P-C4'-P energy: -26.118 tors. eta vs tors. theta energy: -14.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -410.131597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.131597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.131597 (E_RNA) where: Base-Base interactions energy: -174.263 where: short stacking energy: -119.431 Base-Backbone interact. energy: -0.908 local terms energy: -234.961078 where: bonds (distance) C4'-P energy: -77.792 bonds (distance) P-C4' energy: -88.857 flat angles C4'-P-C4' energy: -59.919 flat angles P-C4'-P energy: -20.234 tors. eta vs tors. theta energy: 11.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1693.819434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.819434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.819434 (E_RNA) where: Base-Base interactions energy: -1172.437 where: short stacking energy: -495.259 Base-Backbone interact. energy: -0.694 local terms energy: -520.687636 where: bonds (distance) C4'-P energy: -82.582 bonds (distance) P-C4' energy: -93.290 flat angles C4'-P-C4' energy: -112.033 flat angles P-C4'-P energy: -78.412 tors. eta vs tors. theta energy: -154.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1555.222937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.222937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.222937 (E_RNA) where: Base-Base interactions energy: -1048.371 where: short stacking energy: -478.657 Base-Backbone interact. energy: 0.239 local terms energy: -507.090773 where: bonds (distance) C4'-P energy: -89.975 bonds (distance) P-C4' energy: -103.223 flat angles C4'-P-C4' energy: -108.353 flat angles P-C4'-P energy: -65.738 tors. eta vs tors. theta energy: -139.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1548.532497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.532497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.532497 (E_RNA) where: Base-Base interactions energy: -1082.131 where: short stacking energy: -458.577 Base-Backbone interact. energy: -2.431 local terms energy: -463.971231 where: bonds (distance) C4'-P energy: -73.763 bonds (distance) P-C4' energy: -85.244 flat angles C4'-P-C4' energy: -99.660 flat angles P-C4'-P energy: -68.431 tors. eta vs tors. theta energy: -136.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1488.218373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.218373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.218373 (E_RNA) where: Base-Base interactions energy: -985.790 where: short stacking energy: -434.739 Base-Backbone interact. energy: -2.740 local terms energy: -499.688324 where: bonds (distance) C4'-P energy: -92.799 bonds (distance) P-C4' energy: -87.727 flat angles C4'-P-C4' energy: -111.445 flat angles P-C4'-P energy: -75.655 tors. eta vs tors. theta energy: -132.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1433.843907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.843907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.843907 (E_RNA) where: Base-Base interactions energy: -983.280 where: short stacking energy: -414.146 Base-Backbone interact. energy: 5.292 local terms energy: -455.856062 where: bonds (distance) C4'-P energy: -79.969 bonds (distance) P-C4' energy: -99.122 flat angles C4'-P-C4' energy: -95.558 flat angles P-C4'-P energy: -66.728 tors. eta vs tors. theta energy: -114.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1275.021155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.021155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.021155 (E_RNA) where: Base-Base interactions energy: -870.230 where: short stacking energy: -391.394 Base-Backbone interact. energy: -1.809 local terms energy: -402.981938 where: bonds (distance) C4'-P energy: -87.871 bonds (distance) P-C4' energy: -61.800 flat angles C4'-P-C4' energy: -93.519 flat angles P-C4'-P energy: -60.243 tors. eta vs tors. theta energy: -99.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -1047.410684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.410684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.410684 (E_RNA) where: Base-Base interactions energy: -669.429 where: short stacking energy: -328.828 Base-Backbone interact. energy: -3.193 local terms energy: -374.788830 where: bonds (distance) C4'-P energy: -76.854 bonds (distance) P-C4' energy: -71.296 flat angles C4'-P-C4' energy: -94.935 flat angles P-C4'-P energy: -56.094 tors. eta vs tors. theta energy: -75.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -915.645660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.645660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.645660 (E_RNA) where: Base-Base interactions energy: -560.266 where: short stacking energy: -254.687 Base-Backbone interact. energy: -4.341 local terms energy: -351.038332 where: bonds (distance) C4'-P energy: -64.991 bonds (distance) P-C4' energy: -94.763 flat angles C4'-P-C4' energy: -79.106 flat angles P-C4'-P energy: -62.552 tors. eta vs tors. theta energy: -49.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -498.811636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.811636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.811636 (E_RNA) where: Base-Base interactions energy: -201.592 where: short stacking energy: -139.151 Base-Backbone interact. energy: -0.907 local terms energy: -296.312062 where: bonds (distance) C4'-P energy: -65.205 bonds (distance) P-C4' energy: -76.512 flat angles C4'-P-C4' energy: -84.496 flat angles P-C4'-P energy: -55.275 tors. eta vs tors. theta energy: -14.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -391.875943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.875943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.875943 (E_RNA) where: Base-Base interactions energy: -147.193 where: short stacking energy: -135.109 Base-Backbone interact. energy: -1.378 local terms energy: -243.305107 where: bonds (distance) C4'-P energy: -71.339 bonds (distance) P-C4' energy: -79.625 flat angles C4'-P-C4' energy: -68.300 flat angles P-C4'-P energy: -31.472 tors. eta vs tors. theta energy: 7.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1708.804596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.804596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.804596 (E_RNA) where: Base-Base interactions energy: -1158.376 where: short stacking energy: -513.339 Base-Backbone interact. energy: -0.984 local terms energy: -549.443896 where: bonds (distance) C4'-P energy: -89.542 bonds (distance) P-C4' energy: -104.510 flat angles C4'-P-C4' energy: -113.993 flat angles P-C4'-P energy: -77.678 tors. eta vs tors. theta energy: -163.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1556.305758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.305758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.305758 (E_RNA) where: Base-Base interactions energy: -1059.272 where: short stacking energy: -473.339 Base-Backbone interact. energy: -5.715 local terms energy: -491.319470 where: bonds (distance) C4'-P energy: -101.729 bonds (distance) P-C4' energy: -85.289 flat angles C4'-P-C4' energy: -105.072 flat angles P-C4'-P energy: -72.132 tors. eta vs tors. theta energy: -127.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1551.906973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.906973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.906973 (E_RNA) where: Base-Base interactions energy: -1072.917 where: short stacking energy: -457.962 Base-Backbone interact. energy: 0.502 local terms energy: -479.492492 where: bonds (distance) C4'-P energy: -94.750 bonds (distance) P-C4' energy: -83.017 flat angles C4'-P-C4' energy: -96.007 flat angles P-C4'-P energy: -67.743 tors. eta vs tors. theta energy: -137.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1488.994501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.994501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.994501 (E_RNA) where: Base-Base interactions energy: -1024.372 where: short stacking energy: -464.519 Base-Backbone interact. energy: -2.053 local terms energy: -462.569120 where: bonds (distance) C4'-P energy: -90.237 bonds (distance) P-C4' energy: -76.005 flat angles C4'-P-C4' energy: -106.326 flat angles P-C4'-P energy: -58.793 tors. eta vs tors. theta energy: -131.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1406.193900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.193900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.193900 (E_RNA) where: Base-Base interactions energy: -970.671 where: short stacking energy: -407.561 Base-Backbone interact. energy: -4.068 local terms energy: -431.454933 where: bonds (distance) C4'-P energy: -85.746 bonds (distance) P-C4' energy: -84.600 flat angles C4'-P-C4' energy: -81.018 flat angles P-C4'-P energy: -64.868 tors. eta vs tors. theta energy: -115.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1206.644186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.644186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.644186 (E_RNA) where: Base-Base interactions energy: -807.001 where: short stacking energy: -370.063 Base-Backbone interact. energy: -3.144 local terms energy: -396.499510 where: bonds (distance) C4'-P energy: -79.387 bonds (distance) P-C4' energy: -85.387 flat angles C4'-P-C4' energy: -83.640 flat angles P-C4'-P energy: -50.963 tors. eta vs tors. theta energy: -97.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1085.057540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.057540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.057540 (E_RNA) where: Base-Base interactions energy: -709.306 where: short stacking energy: -335.508 Base-Backbone interact. energy: -1.125 local terms energy: -374.626516 where: bonds (distance) C4'-P energy: -66.088 bonds (distance) P-C4' energy: -85.923 flat angles C4'-P-C4' energy: -86.360 flat angles P-C4'-P energy: -54.907 tors. eta vs tors. theta energy: -81.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -888.772092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.772092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.772092 (E_RNA) where: Base-Base interactions energy: -587.413 where: short stacking energy: -293.337 Base-Backbone interact. energy: -2.809 local terms energy: -298.549275 where: bonds (distance) C4'-P energy: -54.601 bonds (distance) P-C4' energy: -66.402 flat angles C4'-P-C4' energy: -72.100 flat angles P-C4'-P energy: -43.136 tors. eta vs tors. theta energy: -62.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -507.204751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.204751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.204751 (E_RNA) where: Base-Base interactions energy: -241.712 where: short stacking energy: -153.770 Base-Backbone interact. energy: 0.336 local terms energy: -265.828804 where: bonds (distance) C4'-P energy: -79.716 bonds (distance) P-C4' energy: -79.440 flat angles C4'-P-C4' energy: -75.898 flat angles P-C4'-P energy: -30.044 tors. eta vs tors. theta energy: -0.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -374.311950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.311950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.311950 (E_RNA) where: Base-Base interactions energy: -130.049 where: short stacking energy: -91.051 Base-Backbone interact. energy: -1.969 local terms energy: -242.293963 where: bonds (distance) C4'-P energy: -80.695 bonds (distance) P-C4' energy: -74.936 flat angles C4'-P-C4' energy: -62.218 flat angles P-C4'-P energy: -48.258 tors. eta vs tors. theta energy: 23.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1710.873777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.873777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.873777 (E_RNA) where: Base-Base interactions energy: -1177.983 where: short stacking energy: -524.815 Base-Backbone interact. energy: 0.153 local terms energy: -533.044657 where: bonds (distance) C4'-P energy: -82.265 bonds (distance) P-C4' energy: -95.530 flat angles C4'-P-C4' energy: -111.051 flat angles P-C4'-P energy: -80.405 tors. eta vs tors. theta energy: -163.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1572.427028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.427028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.427028 (E_RNA) where: Base-Base interactions energy: -1064.795 where: short stacking energy: -477.211 Base-Backbone interact. energy: -2.083 local terms energy: -505.549402 where: bonds (distance) C4'-P energy: -89.959 bonds (distance) P-C4' energy: -102.297 flat angles C4'-P-C4' energy: -99.726 flat angles P-C4'-P energy: -72.518 tors. eta vs tors. theta energy: -141.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1521.350943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.350943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.350943 (E_RNA) where: Base-Base interactions energy: -1060.607 where: short stacking energy: -449.804 Base-Backbone interact. energy: -0.907 local terms energy: -459.837114 where: bonds (distance) C4'-P energy: -83.236 bonds (distance) P-C4' energy: -86.514 flat angles C4'-P-C4' energy: -103.340 flat angles P-C4'-P energy: -63.220 tors. eta vs tors. theta energy: -123.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1492.466682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.466682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.466682 (E_RNA) where: Base-Base interactions energy: -1006.116 where: short stacking energy: -446.799 Base-Backbone interact. energy: -1.078 local terms energy: -485.272843 where: bonds (distance) C4'-P energy: -84.570 bonds (distance) P-C4' energy: -90.638 flat angles C4'-P-C4' energy: -99.944 flat angles P-C4'-P energy: -72.601 tors. eta vs tors. theta energy: -137.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1450.090925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.090925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.090925 (E_RNA) where: Base-Base interactions energy: -994.844 where: short stacking energy: -433.361 Base-Backbone interact. energy: -3.928 local terms energy: -451.319374 where: bonds (distance) C4'-P energy: -76.404 bonds (distance) P-C4' energy: -87.397 flat angles C4'-P-C4' energy: -102.987 flat angles P-C4'-P energy: -54.349 tors. eta vs tors. theta energy: -130.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1302.382394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.382394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.382394 (E_RNA) where: Base-Base interactions energy: -864.838 where: short stacking energy: -370.412 Base-Backbone interact. energy: -2.407 local terms energy: -435.137750 where: bonds (distance) C4'-P energy: -89.253 bonds (distance) P-C4' energy: -80.380 flat angles C4'-P-C4' energy: -84.700 flat angles P-C4'-P energy: -71.045 tors. eta vs tors. theta energy: -109.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1099.886029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.886029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.886029 (E_RNA) where: Base-Base interactions energy: -705.146 where: short stacking energy: -341.901 Base-Backbone interact. energy: -1.320 local terms energy: -393.419369 where: bonds (distance) C4'-P energy: -76.412 bonds (distance) P-C4' energy: -81.684 flat angles C4'-P-C4' energy: -89.962 flat angles P-C4'-P energy: -53.820 tors. eta vs tors. theta energy: -91.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -854.029360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.029360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.029360 (E_RNA) where: Base-Base interactions energy: -520.591 where: short stacking energy: -252.333 Base-Backbone interact. energy: -3.876 local terms energy: -329.562321 where: bonds (distance) C4'-P energy: -85.320 bonds (distance) P-C4' energy: -77.319 flat angles C4'-P-C4' energy: -77.126 flat angles P-C4'-P energy: -51.927 tors. eta vs tors. theta energy: -37.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -558.609154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.609154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.609154 (E_RNA) where: Base-Base interactions energy: -274.077 where: short stacking energy: -149.707 Base-Backbone interact. energy: -1.617 local terms energy: -282.914638 where: bonds (distance) C4'-P energy: -81.468 bonds (distance) P-C4' energy: -85.943 flat angles C4'-P-C4' energy: -70.648 flat angles P-C4'-P energy: -38.554 tors. eta vs tors. theta energy: -6.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -385.050875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.050875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.050875 (E_RNA) where: Base-Base interactions energy: -121.804 where: short stacking energy: -105.097 Base-Backbone interact. energy: 0.214 local terms energy: -263.461251 where: bonds (distance) C4'-P energy: -79.031 bonds (distance) P-C4' energy: -79.705 flat angles C4'-P-C4' energy: -73.934 flat angles P-C4'-P energy: -56.190 tors. eta vs tors. theta energy: 25.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1722.374045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.374045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.374045 (E_RNA) where: Base-Base interactions energy: -1179.720 where: short stacking energy: -531.263 Base-Backbone interact. energy: -2.315 local terms energy: -540.338758 where: bonds (distance) C4'-P energy: -93.979 bonds (distance) P-C4' energy: -98.708 flat angles C4'-P-C4' energy: -112.912 flat angles P-C4'-P energy: -76.903 tors. eta vs tors. theta energy: -157.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1569.570884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.570884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.570884 (E_RNA) where: Base-Base interactions energy: -1096.792 where: short stacking energy: -474.974 Base-Backbone interact. energy: -2.526 local terms energy: -470.252948 where: bonds (distance) C4'-P energy: -84.802 bonds (distance) P-C4' energy: -78.886 flat angles C4'-P-C4' energy: -106.790 flat angles P-C4'-P energy: -65.337 tors. eta vs tors. theta energy: -134.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1558.223511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.223511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.223511 (E_RNA) where: Base-Base interactions energy: -1063.048 where: short stacking energy: -444.722 Base-Backbone interact. energy: -3.230 local terms energy: -491.946148 where: bonds (distance) C4'-P energy: -94.991 bonds (distance) P-C4' energy: -96.760 flat angles C4'-P-C4' energy: -95.491 flat angles P-C4'-P energy: -71.385 tors. eta vs tors. theta energy: -133.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1487.968069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.968069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.968069 (E_RNA) where: Base-Base interactions energy: -1020.546 where: short stacking energy: -461.757 Base-Backbone interact. energy: 1.346 local terms energy: -468.767529 where: bonds (distance) C4'-P energy: -79.847 bonds (distance) P-C4' energy: -80.036 flat angles C4'-P-C4' energy: -102.221 flat angles P-C4'-P energy: -74.291 tors. eta vs tors. theta energy: -132.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1432.404940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.404940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.404940 (E_RNA) where: Base-Base interactions energy: -960.626 where: short stacking energy: -434.513 Base-Backbone interact. energy: -5.254 local terms energy: -466.524601 where: bonds (distance) C4'-P energy: -94.661 bonds (distance) P-C4' energy: -82.007 flat angles C4'-P-C4' energy: -96.134 flat angles P-C4'-P energy: -69.770 tors. eta vs tors. theta energy: -123.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1307.843898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.843898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.843898 (E_RNA) where: Base-Base interactions energy: -877.042 where: short stacking energy: -381.732 Base-Backbone interact. energy: -0.767 local terms energy: -430.035017 where: bonds (distance) C4'-P energy: -89.319 bonds (distance) P-C4' energy: -90.934 flat angles C4'-P-C4' energy: -96.963 flat angles P-C4'-P energy: -57.353 tors. eta vs tors. theta energy: -95.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1033.624993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.624993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.624993 (E_RNA) where: Base-Base interactions energy: -661.912 where: short stacking energy: -324.621 Base-Backbone interact. energy: -0.189 local terms energy: -371.523895 where: bonds (distance) C4'-P energy: -66.498 bonds (distance) P-C4' energy: -86.182 flat angles C4'-P-C4' energy: -93.188 flat angles P-C4'-P energy: -57.058 tors. eta vs tors. theta energy: -68.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -887.214444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.214444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.214444 (E_RNA) where: Base-Base interactions energy: -590.003 where: short stacking energy: -239.928 Base-Backbone interact. energy: -2.941 local terms energy: -294.270635 where: bonds (distance) C4'-P energy: -65.029 bonds (distance) P-C4' energy: -72.592 flat angles C4'-P-C4' energy: -75.505 flat angles P-C4'-P energy: -38.148 tors. eta vs tors. theta energy: -42.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -550.587050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.587050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.587050 (E_RNA) where: Base-Base interactions energy: -313.710 where: short stacking energy: -190.288 Base-Backbone interact. energy: -0.923 local terms energy: -235.954278 where: bonds (distance) C4'-P energy: -62.380 bonds (distance) P-C4' energy: -75.825 flat angles C4'-P-C4' energy: -55.250 flat angles P-C4'-P energy: -35.468 tors. eta vs tors. theta energy: -7.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -371.258010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.258010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.258010 (E_RNA) where: Base-Base interactions energy: -120.522 where: short stacking energy: -106.501 Base-Backbone interact. energy: 0.318 local terms energy: -251.053993 where: bonds (distance) C4'-P energy: -60.596 bonds (distance) P-C4' energy: -98.151 flat angles C4'-P-C4' energy: -75.697 flat angles P-C4'-P energy: -38.560 tors. eta vs tors. theta energy: 21.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1686.013301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.013301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.013301 (E_RNA) where: Base-Base interactions energy: -1129.884 where: short stacking energy: -488.465 Base-Backbone interact. energy: -1.135 local terms energy: -554.994081 where: bonds (distance) C4'-P energy: -97.018 bonds (distance) P-C4' energy: -100.519 flat angles C4'-P-C4' energy: -113.336 flat angles P-C4'-P energy: -82.645 tors. eta vs tors. theta energy: -161.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1617.729563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.729563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.729563 (E_RNA) where: Base-Base interactions energy: -1115.816 where: short stacking energy: -473.650 Base-Backbone interact. energy: -2.211 local terms energy: -499.701889 where: bonds (distance) C4'-P energy: -91.178 bonds (distance) P-C4' energy: -97.330 flat angles C4'-P-C4' energy: -106.715 flat angles P-C4'-P energy: -64.871 tors. eta vs tors. theta energy: -139.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1526.493710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.493710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.493710 (E_RNA) where: Base-Base interactions energy: -1039.227 where: short stacking energy: -434.876 Base-Backbone interact. energy: -2.666 local terms energy: -484.600618 where: bonds (distance) C4'-P energy: -94.719 bonds (distance) P-C4' energy: -91.494 flat angles C4'-P-C4' energy: -104.657 flat angles P-C4'-P energy: -66.242 tors. eta vs tors. theta energy: -127.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1502.053922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1502.053922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1502.053922 (E_RNA) where: Base-Base interactions energy: -1019.103 where: short stacking energy: -460.461 Base-Backbone interact. energy: -1.593 local terms energy: -481.357404 where: bonds (distance) C4'-P energy: -93.445 bonds (distance) P-C4' energy: -98.393 flat angles C4'-P-C4' energy: -97.405 flat angles P-C4'-P energy: -60.209 tors. eta vs tors. theta energy: -131.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1409.819290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.819290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.819290 (E_RNA) where: Base-Base interactions energy: -982.290 where: short stacking energy: -414.984 Base-Backbone interact. energy: -1.646 local terms energy: -425.882700 where: bonds (distance) C4'-P energy: -86.709 bonds (distance) P-C4' energy: -77.085 flat angles C4'-P-C4' energy: -76.688 flat angles P-C4'-P energy: -71.487 tors. eta vs tors. theta energy: -113.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1238.966726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.966726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.966726 (E_RNA) where: Base-Base interactions energy: -818.204 where: short stacking energy: -367.896 Base-Backbone interact. energy: -0.111 local terms energy: -420.651742 where: bonds (distance) C4'-P energy: -74.716 bonds (distance) P-C4' energy: -84.029 flat angles C4'-P-C4' energy: -96.413 flat angles P-C4'-P energy: -70.303 tors. eta vs tors. theta energy: -95.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1013.314551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.314551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.314551 (E_RNA) where: Base-Base interactions energy: -620.834 where: short stacking energy: -319.372 Base-Backbone interact. energy: 0.635 local terms energy: -393.115470 where: bonds (distance) C4'-P energy: -78.088 bonds (distance) P-C4' energy: -94.550 flat angles C4'-P-C4' energy: -87.395 flat angles P-C4'-P energy: -62.245 tors. eta vs tors. theta energy: -70.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -922.392999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.392999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.392999 (E_RNA) where: Base-Base interactions energy: -600.285 where: short stacking energy: -260.410 Base-Backbone interact. energy: -1.681 local terms energy: -320.426812 where: bonds (distance) C4'-P energy: -86.392 bonds (distance) P-C4' energy: -62.530 flat angles C4'-P-C4' energy: -68.248 flat angles P-C4'-P energy: -59.484 tors. eta vs tors. theta energy: -43.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -629.719440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.719440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.719440 (E_RNA) where: Base-Base interactions energy: -345.284 where: short stacking energy: -186.494 Base-Backbone interact. energy: -0.437 local terms energy: -283.999065 where: bonds (distance) C4'-P energy: -82.327 bonds (distance) P-C4' energy: -67.690 flat angles C4'-P-C4' energy: -70.835 flat angles P-C4'-P energy: -47.441 tors. eta vs tors. theta energy: -15.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -425.212972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.212972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.212972 (E_RNA) where: Base-Base interactions energy: -176.321 where: short stacking energy: -119.303 Base-Backbone interact. energy: -0.275 local terms energy: -248.616839 where: bonds (distance) C4'-P energy: -69.812 bonds (distance) P-C4' energy: -80.201 flat angles C4'-P-C4' energy: -67.278 flat angles P-C4'-P energy: -37.621 tors. eta vs tors. theta energy: 6.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1706.622790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.622790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.622790 (E_RNA) where: Base-Base interactions energy: -1178.556 where: short stacking energy: -496.608 Base-Backbone interact. energy: -0.940 local terms energy: -527.126399 where: bonds (distance) C4'-P energy: -94.031 bonds (distance) P-C4' energy: -100.655 flat angles C4'-P-C4' energy: -107.422 flat angles P-C4'-P energy: -64.919 tors. eta vs tors. theta energy: -160.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1619.707232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.707232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.707232 (E_RNA) where: Base-Base interactions energy: -1111.489 where: short stacking energy: -471.025 Base-Backbone interact. energy: -2.128 local terms energy: -506.090237 where: bonds (distance) C4'-P energy: -99.340 bonds (distance) P-C4' energy: -89.404 flat angles C4'-P-C4' energy: -102.905 flat angles P-C4'-P energy: -78.591 tors. eta vs tors. theta energy: -135.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1525.560625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.560625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.560625 (E_RNA) where: Base-Base interactions energy: -1050.873 where: short stacking energy: -473.299 Base-Backbone interact. energy: -2.208 local terms energy: -472.479086 where: bonds (distance) C4'-P energy: -81.992 bonds (distance) P-C4' energy: -83.585 flat angles C4'-P-C4' energy: -100.467 flat angles P-C4'-P energy: -63.588 tors. eta vs tors. theta energy: -142.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1507.257643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.257643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.257643 (E_RNA) where: Base-Base interactions energy: -1033.706 where: short stacking energy: -463.723 Base-Backbone interact. energy: -0.179 local terms energy: -473.372693 where: bonds (distance) C4'-P energy: -84.770 bonds (distance) P-C4' energy: -91.385 flat angles C4'-P-C4' energy: -106.592 flat angles P-C4'-P energy: -53.658 tors. eta vs tors. theta energy: -136.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1441.770700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.770700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.770700 (E_RNA) where: Base-Base interactions energy: -1015.653 where: short stacking energy: -442.880 Base-Backbone interact. energy: 2.364 local terms energy: -428.482423 where: bonds (distance) C4'-P energy: -82.468 bonds (distance) P-C4' energy: -79.995 flat angles C4'-P-C4' energy: -86.877 flat angles P-C4'-P energy: -57.224 tors. eta vs tors. theta energy: -121.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1250.963436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.963436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.963436 (E_RNA) where: Base-Base interactions energy: -820.829 where: short stacking energy: -375.491 Base-Backbone interact. energy: -3.458 local terms energy: -426.675781 where: bonds (distance) C4'-P energy: -78.257 bonds (distance) P-C4' energy: -84.117 flat angles C4'-P-C4' energy: -102.341 flat angles P-C4'-P energy: -50.790 tors. eta vs tors. theta energy: -111.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1042.677234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.677234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.677234 (E_RNA) where: Base-Base interactions energy: -678.367 where: short stacking energy: -318.546 Base-Backbone interact. energy: -0.466 local terms energy: -363.844460 where: bonds (distance) C4'-P energy: -55.535 bonds (distance) P-C4' energy: -82.864 flat angles C4'-P-C4' energy: -90.700 flat angles P-C4'-P energy: -61.600 tors. eta vs tors. theta energy: -73.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -906.123243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.123243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.123243 (E_RNA) where: Base-Base interactions energy: -570.788 where: short stacking energy: -260.600 Base-Backbone interact. energy: -0.040 local terms energy: -335.295365 where: bonds (distance) C4'-P energy: -83.413 bonds (distance) P-C4' energy: -78.996 flat angles C4'-P-C4' energy: -81.681 flat angles P-C4'-P energy: -45.582 tors. eta vs tors. theta energy: -45.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -658.621787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.621787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.621787 (E_RNA) where: Base-Base interactions energy: -364.974 where: short stacking energy: -210.079 Base-Backbone interact. energy: -1.395 local terms energy: -292.253494 where: bonds (distance) C4'-P energy: -66.157 bonds (distance) P-C4' energy: -89.897 flat angles C4'-P-C4' energy: -64.445 flat angles P-C4'-P energy: -39.035 tors. eta vs tors. theta energy: -32.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -388.596057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.596057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.596057 (E_RNA) where: Base-Base interactions energy: -135.081 where: short stacking energy: -119.646 Base-Backbone interact. energy: 0.498 local terms energy: -254.013819 where: bonds (distance) C4'-P energy: -68.920 bonds (distance) P-C4' energy: -75.063 flat angles C4'-P-C4' energy: -64.627 flat angles P-C4'-P energy: -41.628 tors. eta vs tors. theta energy: -3.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1727.065081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.065081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.065081 (E_RNA) where: Base-Base interactions energy: -1186.123 where: short stacking energy: -510.220 Base-Backbone interact. energy: -1.200 local terms energy: -539.742216 where: bonds (distance) C4'-P energy: -97.483 bonds (distance) P-C4' energy: -104.784 flat angles C4'-P-C4' energy: -113.488 flat angles P-C4'-P energy: -65.317 tors. eta vs tors. theta energy: -158.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1582.309715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.309715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.309715 (E_RNA) where: Base-Base interactions energy: -1078.695 where: short stacking energy: -475.959 Base-Backbone interact. energy: -2.793 local terms energy: -500.821957 where: bonds (distance) C4'-P energy: -97.056 bonds (distance) P-C4' energy: -93.876 flat angles C4'-P-C4' energy: -98.350 flat angles P-C4'-P energy: -66.644 tors. eta vs tors. theta energy: -144.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1538.318210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.318210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.318210 (E_RNA) where: Base-Base interactions energy: -1045.485 where: short stacking energy: -467.588 Base-Backbone interact. energy: -3.562 local terms energy: -489.271353 where: bonds (distance) C4'-P energy: -91.674 bonds (distance) P-C4' energy: -89.028 flat angles C4'-P-C4' energy: -101.071 flat angles P-C4'-P energy: -66.422 tors. eta vs tors. theta energy: -141.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1493.201524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.201524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.201524 (E_RNA) where: Base-Base interactions energy: -1037.138 where: short stacking energy: -449.660 Base-Backbone interact. energy: 0.041 local terms energy: -456.105062 where: bonds (distance) C4'-P energy: -83.596 bonds (distance) P-C4' energy: -81.111 flat angles C4'-P-C4' energy: -102.989 flat angles P-C4'-P energy: -57.605 tors. eta vs tors. theta energy: -130.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1410.605032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.605032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.605032 (E_RNA) where: Base-Base interactions energy: -971.631 where: short stacking energy: -415.289 Base-Backbone interact. energy: -1.946 local terms energy: -437.028235 where: bonds (distance) C4'-P energy: -82.314 bonds (distance) P-C4' energy: -85.890 flat angles C4'-P-C4' energy: -104.465 flat angles P-C4'-P energy: -56.334 tors. eta vs tors. theta energy: -108.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1280.612575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.612575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.612575 (E_RNA) where: Base-Base interactions energy: -861.319 where: short stacking energy: -387.329 Base-Backbone interact. energy: 0.093 local terms energy: -419.386798 where: bonds (distance) C4'-P energy: -75.755 bonds (distance) P-C4' energy: -83.696 flat angles C4'-P-C4' energy: -107.713 flat angles P-C4'-P energy: -51.913 tors. eta vs tors. theta energy: -100.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1053.657700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.657700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.657700 (E_RNA) where: Base-Base interactions energy: -650.733 where: short stacking energy: -302.287 Base-Backbone interact. energy: 0.211 local terms energy: -403.135805 where: bonds (distance) C4'-P energy: -75.999 bonds (distance) P-C4' energy: -85.542 flat angles C4'-P-C4' energy: -98.862 flat angles P-C4'-P energy: -71.999 tors. eta vs tors. theta energy: -70.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -955.156847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.156847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.156847 (E_RNA) where: Base-Base interactions energy: -617.477 where: short stacking energy: -301.852 Base-Backbone interact. energy: -1.386 local terms energy: -336.293977 where: bonds (distance) C4'-P energy: -79.299 bonds (distance) P-C4' energy: -64.611 flat angles C4'-P-C4' energy: -71.393 flat angles P-C4'-P energy: -55.150 tors. eta vs tors. theta energy: -65.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -573.686943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.686943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.686943 (E_RNA) where: Base-Base interactions energy: -335.466 where: short stacking energy: -184.207 Base-Backbone interact. energy: 4.576 local terms energy: -242.797533 where: bonds (distance) C4'-P energy: -75.383 bonds (distance) P-C4' energy: -65.284 flat angles C4'-P-C4' energy: -60.188 flat angles P-C4'-P energy: -33.808 tors. eta vs tors. theta energy: -8.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -366.993439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.993439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.993439 (E_RNA) where: Base-Base interactions energy: -125.395 where: short stacking energy: -122.664 Base-Backbone interact. energy: 0.179 local terms energy: -241.776998 where: bonds (distance) C4'-P energy: -88.069 bonds (distance) P-C4' energy: -61.606 flat angles C4'-P-C4' energy: -54.008 flat angles P-C4'-P energy: -36.847 tors. eta vs tors. theta energy: -1.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1701.455467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.455467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.455467 (E_RNA) where: Base-Base interactions energy: -1153.708 where: short stacking energy: -510.242 Base-Backbone interact. energy: -2.007 local terms energy: -545.740346 where: bonds (distance) C4'-P energy: -90.058 bonds (distance) P-C4' energy: -89.986 flat angles C4'-P-C4' energy: -119.708 flat angles P-C4'-P energy: -84.346 tors. eta vs tors. theta energy: -161.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1597.360044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.360044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.360044 (E_RNA) where: Base-Base interactions energy: -1124.355 where: short stacking energy: -458.262 Base-Backbone interact. energy: -2.039 local terms energy: -470.966137 where: bonds (distance) C4'-P energy: -82.554 bonds (distance) P-C4' energy: -83.794 flat angles C4'-P-C4' energy: -105.877 flat angles P-C4'-P energy: -62.721 tors. eta vs tors. theta energy: -136.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1515.161422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.161422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.161422 (E_RNA) where: Base-Base interactions energy: -1030.645 where: short stacking energy: -461.451 Base-Backbone interact. energy: -1.138 local terms energy: -483.378883 where: bonds (distance) C4'-P energy: -86.554 bonds (distance) P-C4' energy: -97.609 flat angles C4'-P-C4' energy: -100.334 flat angles P-C4'-P energy: -61.801 tors. eta vs tors. theta energy: -137.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1483.153804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.153804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.153804 (E_RNA) where: Base-Base interactions energy: -981.517 where: short stacking energy: -456.343 Base-Backbone interact. energy: -1.713 local terms energy: -499.923877 where: bonds (distance) C4'-P energy: -92.047 bonds (distance) P-C4' energy: -100.364 flat angles C4'-P-C4' energy: -106.183 flat angles P-C4'-P energy: -69.495 tors. eta vs tors. theta energy: -131.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1422.723563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.723563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.723563 (E_RNA) where: Base-Base interactions energy: -978.414 where: short stacking energy: -435.219 Base-Backbone interact. energy: 0.286 local terms energy: -444.595314 where: bonds (distance) C4'-P energy: -76.076 bonds (distance) P-C4' energy: -84.515 flat angles C4'-P-C4' energy: -92.994 flat angles P-C4'-P energy: -69.506 tors. eta vs tors. theta energy: -121.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1255.094154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.094154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.094154 (E_RNA) where: Base-Base interactions energy: -842.239 where: short stacking energy: -369.587 Base-Backbone interact. energy: -1.779 local terms energy: -411.075847 where: bonds (distance) C4'-P energy: -82.085 bonds (distance) P-C4' energy: -85.054 flat angles C4'-P-C4' energy: -82.561 flat angles P-C4'-P energy: -60.704 tors. eta vs tors. theta energy: -100.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1050.748014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.748014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.748014 (E_RNA) where: Base-Base interactions energy: -692.697 where: short stacking energy: -343.232 Base-Backbone interact. energy: -1.639 local terms energy: -356.411647 where: bonds (distance) C4'-P energy: -52.553 bonds (distance) P-C4' energy: -80.056 flat angles C4'-P-C4' energy: -89.973 flat angles P-C4'-P energy: -53.818 tors. eta vs tors. theta energy: -80.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -960.428300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.428300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.428300 (E_RNA) where: Base-Base interactions energy: -590.227 where: short stacking energy: -282.443 Base-Backbone interact. energy: -3.703 local terms energy: -366.498389 where: bonds (distance) C4'-P energy: -80.771 bonds (distance) P-C4' energy: -94.039 flat angles C4'-P-C4' energy: -81.254 flat angles P-C4'-P energy: -36.286 tors. eta vs tors. theta energy: -74.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -553.753884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.753884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.753884 (E_RNA) where: Base-Base interactions energy: -298.652 where: short stacking energy: -175.713 Base-Backbone interact. energy: -2.082 local terms energy: -253.020432 where: bonds (distance) C4'-P energy: -53.372 bonds (distance) P-C4' energy: -82.214 flat angles C4'-P-C4' energy: -68.847 flat angles P-C4'-P energy: -41.250 tors. eta vs tors. theta energy: -7.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -374.406376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -374.406376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -374.406376 (E_RNA) where: Base-Base interactions energy: -125.333 where: short stacking energy: -108.443 Base-Backbone interact. energy: 3.959 local terms energy: -253.032004 where: bonds (distance) C4'-P energy: -76.000 bonds (distance) P-C4' energy: -86.202 flat angles C4'-P-C4' energy: -75.041 flat angles P-C4'-P energy: -32.091 tors. eta vs tors. theta energy: 16.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1721.037717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.037717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.037717 (E_RNA) where: Base-Base interactions energy: -1193.348 where: short stacking energy: -508.462 Base-Backbone interact. energy: -1.286 local terms energy: -526.403399 where: bonds (distance) C4'-P energy: -95.677 bonds (distance) P-C4' energy: -89.844 flat angles C4'-P-C4' energy: -107.200 flat angles P-C4'-P energy: -69.022 tors. eta vs tors. theta energy: -164.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1604.905985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.905985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.905985 (E_RNA) where: Base-Base interactions energy: -1135.176 where: short stacking energy: -479.440 Base-Backbone interact. energy: -2.307 local terms energy: -467.422880 where: bonds (distance) C4'-P energy: -86.930 bonds (distance) P-C4' energy: -86.013 flat angles C4'-P-C4' energy: -95.718 flat angles P-C4'-P energy: -58.363 tors. eta vs tors. theta energy: -140.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1515.187041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.187041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.187041 (E_RNA) where: Base-Base interactions energy: -1054.113 where: short stacking energy: -469.259 Base-Backbone interact. energy: -1.810 local terms energy: -459.263932 where: bonds (distance) C4'-P energy: -76.535 bonds (distance) P-C4' energy: -76.558 flat angles C4'-P-C4' energy: -99.187 flat angles P-C4'-P energy: -71.866 tors. eta vs tors. theta energy: -135.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1492.380942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.380942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.380942 (E_RNA) where: Base-Base interactions energy: -1024.233 where: short stacking energy: -456.326 Base-Backbone interact. energy: 0.638 local terms energy: -468.786402 where: bonds (distance) C4'-P energy: -73.584 bonds (distance) P-C4' energy: -80.142 flat angles C4'-P-C4' energy: -105.780 flat angles P-C4'-P energy: -71.870 tors. eta vs tors. theta energy: -137.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1378.543352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.543352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.543352 (E_RNA) where: Base-Base interactions energy: -938.961 where: short stacking energy: -392.515 Base-Backbone interact. energy: -3.546 local terms energy: -436.036677 where: bonds (distance) C4'-P energy: -84.664 bonds (distance) P-C4' energy: -81.051 flat angles C4'-P-C4' energy: -95.932 flat angles P-C4'-P energy: -59.967 tors. eta vs tors. theta energy: -114.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1290.558514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.558514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.558514 (E_RNA) where: Base-Base interactions energy: -864.149 where: short stacking energy: -383.116 Base-Backbone interact. energy: -0.110 local terms energy: -426.298841 where: bonds (distance) C4'-P energy: -78.725 bonds (distance) P-C4' energy: -71.647 flat angles C4'-P-C4' energy: -95.496 flat angles P-C4'-P energy: -71.759 tors. eta vs tors. theta energy: -108.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1097.396940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.396940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.396940 (E_RNA) where: Base-Base interactions energy: -701.777 where: short stacking energy: -359.188 Base-Backbone interact. energy: 0.092 local terms energy: -395.712282 where: bonds (distance) C4'-P energy: -95.638 bonds (distance) P-C4' energy: -73.498 flat angles C4'-P-C4' energy: -77.019 flat angles P-C4'-P energy: -64.957 tors. eta vs tors. theta energy: -84.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -993.600612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.600612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.600612 (E_RNA) where: Base-Base interactions energy: -621.947 where: short stacking energy: -269.952 Base-Backbone interact. energy: -1.386 local terms energy: -370.267654 where: bonds (distance) C4'-P energy: -56.405 bonds (distance) P-C4' energy: -103.455 flat angles C4'-P-C4' energy: -78.477 flat angles P-C4'-P energy: -61.418 tors. eta vs tors. theta energy: -70.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -552.979731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.979731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.979731 (E_RNA) where: Base-Base interactions energy: -267.991 where: short stacking energy: -170.481 Base-Backbone interact. energy: 1.484 local terms energy: -286.473045 where: bonds (distance) C4'-P energy: -77.431 bonds (distance) P-C4' energy: -75.937 flat angles C4'-P-C4' energy: -77.204 flat angles P-C4'-P energy: -41.109 tors. eta vs tors. theta energy: -14.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -398.969248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.969248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.969248 (E_RNA) where: Base-Base interactions energy: -140.388 where: short stacking energy: -112.423 Base-Backbone interact. energy: 3.688 local terms energy: -262.269399 where: bonds (distance) C4'-P energy: -79.350 bonds (distance) P-C4' energy: -87.133 flat angles C4'-P-C4' energy: -68.489 flat angles P-C4'-P energy: -41.633 tors. eta vs tors. theta energy: 14.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1708.280186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.280186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.280186 (E_RNA) where: Base-Base interactions energy: -1174.443 where: short stacking energy: -518.502 Base-Backbone interact. energy: -0.399 local terms energy: -533.438165 where: bonds (distance) C4'-P energy: -88.135 bonds (distance) P-C4' energy: -102.363 flat angles C4'-P-C4' energy: -104.534 flat angles P-C4'-P energy: -73.442 tors. eta vs tors. theta energy: -164.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1613.209777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.209777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.209777 (E_RNA) where: Base-Base interactions energy: -1115.680 where: short stacking energy: -464.920 Base-Backbone interact. energy: -3.416 local terms energy: -494.113599 where: bonds (distance) C4'-P energy: -88.040 bonds (distance) P-C4' energy: -92.159 flat angles C4'-P-C4' energy: -106.810 flat angles P-C4'-P energy: -67.232 tors. eta vs tors. theta energy: -139.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1505.496239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.496239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.496239 (E_RNA) where: Base-Base interactions energy: -1017.743 where: short stacking energy: -466.975 Base-Backbone interact. energy: 2.905 local terms energy: -490.658894 where: bonds (distance) C4'-P energy: -92.760 bonds (distance) P-C4' energy: -90.831 flat angles C4'-P-C4' energy: -103.624 flat angles P-C4'-P energy: -67.355 tors. eta vs tors. theta energy: -136.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1457.873082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.873082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.873082 (E_RNA) where: Base-Base interactions energy: -1001.421 where: short stacking energy: -435.752 Base-Backbone interact. energy: -0.812 local terms energy: -455.639852 where: bonds (distance) C4'-P energy: -93.043 bonds (distance) P-C4' energy: -89.844 flat angles C4'-P-C4' energy: -85.983 flat angles P-C4'-P energy: -67.817 tors. eta vs tors. theta energy: -118.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1381.214373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.214373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.214373 (E_RNA) where: Base-Base interactions energy: -961.675 where: short stacking energy: -402.949 Base-Backbone interact. energy: 3.726 local terms energy: -423.265468 where: bonds (distance) C4'-P energy: -80.578 bonds (distance) P-C4' energy: -87.443 flat angles C4'-P-C4' energy: -85.175 flat angles P-C4'-P energy: -65.266 tors. eta vs tors. theta energy: -104.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1289.844329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.844329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.844329 (E_RNA) where: Base-Base interactions energy: -846.423 where: short stacking energy: -377.891 Base-Backbone interact. energy: -0.432 local terms energy: -442.989544 where: bonds (distance) C4'-P energy: -86.107 bonds (distance) P-C4' energy: -83.581 flat angles C4'-P-C4' energy: -96.688 flat angles P-C4'-P energy: -57.498 tors. eta vs tors. theta energy: -119.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1014.069403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.069403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.069403 (E_RNA) where: Base-Base interactions energy: -640.785 where: short stacking energy: -289.481 Base-Backbone interact. energy: 5.066 local terms energy: -378.350932 where: bonds (distance) C4'-P energy: -77.552 bonds (distance) P-C4' energy: -89.526 flat angles C4'-P-C4' energy: -82.287 flat angles P-C4'-P energy: -59.182 tors. eta vs tors. theta energy: -69.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -935.281112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.281112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.281112 (E_RNA) where: Base-Base interactions energy: -599.915 where: short stacking energy: -271.347 Base-Backbone interact. energy: -2.751 local terms energy: -332.614802 where: bonds (distance) C4'-P energy: -67.838 bonds (distance) P-C4' energy: -88.784 flat angles C4'-P-C4' energy: -78.916 flat angles P-C4'-P energy: -39.841 tors. eta vs tors. theta energy: -57.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -564.452154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.452154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.452154 (E_RNA) where: Base-Base interactions energy: -285.569 where: short stacking energy: -175.283 Base-Backbone interact. energy: -0.652 local terms energy: -278.230852 where: bonds (distance) C4'-P energy: -76.386 bonds (distance) P-C4' energy: -73.420 flat angles C4'-P-C4' energy: -76.833 flat angles P-C4'-P energy: -39.260 tors. eta vs tors. theta energy: -12.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -484.527908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.527908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.527908 (E_RNA) where: Base-Base interactions energy: -239.103 where: short stacking energy: -141.085 Base-Backbone interact. energy: 0.797 local terms energy: -246.222735 where: bonds (distance) C4'-P energy: -71.490 bonds (distance) P-C4' energy: -79.601 flat angles C4'-P-C4' energy: -68.625 flat angles P-C4'-P energy: -26.634 tors. eta vs tors. theta energy: 0.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1739.983957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.983957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.983957 (E_RNA) where: Base-Base interactions energy: -1199.110 where: short stacking energy: -518.444 Base-Backbone interact. energy: -1.671 local terms energy: -539.202065 where: bonds (distance) C4'-P energy: -97.043 bonds (distance) P-C4' energy: -92.495 flat angles C4'-P-C4' energy: -119.224 flat angles P-C4'-P energy: -70.651 tors. eta vs tors. theta energy: -159.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1630.736311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.736311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.736311 (E_RNA) where: Base-Base interactions energy: -1145.541 where: short stacking energy: -479.643 Base-Backbone interact. energy: 4.078 local terms energy: -489.272945 where: bonds (distance) C4'-P energy: -85.329 bonds (distance) P-C4' energy: -82.023 flat angles C4'-P-C4' energy: -109.547 flat angles P-C4'-P energy: -73.445 tors. eta vs tors. theta energy: -138.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1547.869253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.869253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.869253 (E_RNA) where: Base-Base interactions energy: -1054.114 where: short stacking energy: -466.474 Base-Backbone interact. energy: -0.689 local terms energy: -493.066592 where: bonds (distance) C4'-P energy: -90.393 bonds (distance) P-C4' energy: -80.258 flat angles C4'-P-C4' energy: -109.413 flat angles P-C4'-P energy: -68.892 tors. eta vs tors. theta energy: -144.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1456.078534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.078534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.078534 (E_RNA) where: Base-Base interactions energy: -997.451 where: short stacking energy: -443.830 Base-Backbone interact. energy: -1.418 local terms energy: -457.209319 where: bonds (distance) C4'-P energy: -87.579 bonds (distance) P-C4' energy: -75.694 flat angles C4'-P-C4' energy: -91.772 flat angles P-C4'-P energy: -78.911 tors. eta vs tors. theta energy: -123.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1453.371577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.371577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.371577 (E_RNA) where: Base-Base interactions energy: -1005.845 where: short stacking energy: -435.836 Base-Backbone interact. energy: -0.713 local terms energy: -446.813618 where: bonds (distance) C4'-P energy: -86.542 bonds (distance) P-C4' energy: -81.799 flat angles C4'-P-C4' energy: -88.622 flat angles P-C4'-P energy: -63.662 tors. eta vs tors. theta energy: -126.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1275.123287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.123287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.123287 (E_RNA) where: Base-Base interactions energy: -860.999 where: short stacking energy: -380.395 Base-Backbone interact. energy: -2.486 local terms energy: -411.638408 where: bonds (distance) C4'-P energy: -77.072 bonds (distance) P-C4' energy: -82.199 flat angles C4'-P-C4' energy: -90.677 flat angles P-C4'-P energy: -57.667 tors. eta vs tors. theta energy: -104.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1050.643668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.643668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.643668 (E_RNA) where: Base-Base interactions energy: -663.297 where: short stacking energy: -325.221 Base-Backbone interact. energy: -1.272 local terms energy: -386.074905 where: bonds (distance) C4'-P energy: -91.137 bonds (distance) P-C4' energy: -82.231 flat angles C4'-P-C4' energy: -77.493 flat angles P-C4'-P energy: -57.272 tors. eta vs tors. theta energy: -77.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -956.612389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.612389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.612389 (E_RNA) where: Base-Base interactions energy: -626.521 where: short stacking energy: -295.740 Base-Backbone interact. energy: 1.781 local terms energy: -331.871613 where: bonds (distance) C4'-P energy: -66.739 bonds (distance) P-C4' energy: -72.045 flat angles C4'-P-C4' energy: -71.911 flat angles P-C4'-P energy: -48.274 tors. eta vs tors. theta energy: -72.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -607.711372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.711372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.711372 (E_RNA) where: Base-Base interactions energy: -305.695 where: short stacking energy: -169.490 Base-Backbone interact. energy: -3.118 local terms energy: -298.899120 where: bonds (distance) C4'-P energy: -85.641 bonds (distance) P-C4' energy: -71.582 flat angles C4'-P-C4' energy: -80.801 flat angles P-C4'-P energy: -49.832 tors. eta vs tors. theta energy: -11.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -482.093319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.093319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.093319 (E_RNA) where: Base-Base interactions energy: -223.505 where: short stacking energy: -141.267 Base-Backbone interact. energy: 2.361 local terms energy: -260.948961 where: bonds (distance) C4'-P energy: -74.526 bonds (distance) P-C4' energy: -72.870 flat angles C4'-P-C4' energy: -71.118 flat angles P-C4'-P energy: -28.055 tors. eta vs tors. theta energy: -14.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1715.483224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.483224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.483224 (E_RNA) where: Base-Base interactions energy: -1185.204 where: short stacking energy: -518.861 Base-Backbone interact. energy: -0.444 local terms energy: -529.835460 where: bonds (distance) C4'-P energy: -96.559 bonds (distance) P-C4' energy: -82.777 flat angles C4'-P-C4' energy: -116.705 flat angles P-C4'-P energy: -70.710 tors. eta vs tors. theta energy: -163.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1593.923148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.923148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.923148 (E_RNA) where: Base-Base interactions energy: -1099.502 where: short stacking energy: -473.646 Base-Backbone interact. energy: 3.020 local terms energy: -497.441283 where: bonds (distance) C4'-P energy: -99.586 bonds (distance) P-C4' energy: -95.414 flat angles C4'-P-C4' energy: -99.181 flat angles P-C4'-P energy: -61.714 tors. eta vs tors. theta energy: -141.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1528.247622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.247622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.247622 (E_RNA) where: Base-Base interactions energy: -1034.145 where: short stacking energy: -465.134 Base-Backbone interact. energy: 2.411 local terms energy: -496.514075 where: bonds (distance) C4'-P energy: -89.998 bonds (distance) P-C4' energy: -90.530 flat angles C4'-P-C4' energy: -104.425 flat angles P-C4'-P energy: -70.790 tors. eta vs tors. theta energy: -140.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1441.708278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.708278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.708278 (E_RNA) where: Base-Base interactions energy: -996.319 where: short stacking energy: -429.809 Base-Backbone interact. energy: -2.389 local terms energy: -442.999807 where: bonds (distance) C4'-P energy: -74.269 bonds (distance) P-C4' energy: -101.646 flat angles C4'-P-C4' energy: -93.317 flat angles P-C4'-P energy: -64.764 tors. eta vs tors. theta energy: -109.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1391.839071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.839071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.839071 (E_RNA) where: Base-Base interactions energy: -934.720 where: short stacking energy: -403.481 Base-Backbone interact. energy: -3.479 local terms energy: -453.640971 where: bonds (distance) C4'-P energy: -91.348 bonds (distance) P-C4' energy: -92.461 flat angles C4'-P-C4' energy: -95.901 flat angles P-C4'-P energy: -60.620 tors. eta vs tors. theta energy: -113.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1263.460301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.460301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.460301 (E_RNA) where: Base-Base interactions energy: -833.144 where: short stacking energy: -385.050 Base-Backbone interact. energy: -3.418 local terms energy: -426.898411 where: bonds (distance) C4'-P energy: -82.647 bonds (distance) P-C4' energy: -79.305 flat angles C4'-P-C4' energy: -97.326 flat angles P-C4'-P energy: -52.815 tors. eta vs tors. theta energy: -114.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -989.297131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.297131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.297131 (E_RNA) where: Base-Base interactions energy: -641.616 where: short stacking energy: -283.182 Base-Backbone interact. energy: -6.161 local terms energy: -341.519959 where: bonds (distance) C4'-P energy: -70.677 bonds (distance) P-C4' energy: -82.971 flat angles C4'-P-C4' energy: -78.957 flat angles P-C4'-P energy: -49.464 tors. eta vs tors. theta energy: -59.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -977.991197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.991197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.991197 (E_RNA) where: Base-Base interactions energy: -625.614 where: short stacking energy: -283.181 Base-Backbone interact. energy: -1.328 local terms energy: -351.049176 where: bonds (distance) C4'-P energy: -83.030 bonds (distance) P-C4' energy: -75.577 flat angles C4'-P-C4' energy: -75.592 flat angles P-C4'-P energy: -46.116 tors. eta vs tors. theta energy: -70.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -553.637670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.637670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.637670 (E_RNA) where: Base-Base interactions energy: -283.506 where: short stacking energy: -160.582 Base-Backbone interact. energy: -2.367 local terms energy: -267.765388 where: bonds (distance) C4'-P energy: -71.020 bonds (distance) P-C4' energy: -85.107 flat angles C4'-P-C4' energy: -65.648 flat angles P-C4'-P energy: -41.180 tors. eta vs tors. theta energy: -4.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -468.898166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.898166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.898166 (E_RNA) where: Base-Base interactions energy: -218.835 where: short stacking energy: -142.286 Base-Backbone interact. energy: -0.195 local terms energy: -249.868520 where: bonds (distance) C4'-P energy: -63.398 bonds (distance) P-C4' energy: -89.450 flat angles C4'-P-C4' energy: -70.808 flat angles P-C4'-P energy: -32.290 tors. eta vs tors. theta energy: 6.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1693.521298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1693.521298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1693.521298 (E_RNA) where: Base-Base interactions energy: -1159.946 where: short stacking energy: -497.762 Base-Backbone interact. energy: -2.584 local terms energy: -530.990746 where: bonds (distance) C4'-P energy: -83.523 bonds (distance) P-C4' energy: -96.205 flat angles C4'-P-C4' energy: -112.328 flat angles P-C4'-P energy: -75.591 tors. eta vs tors. theta energy: -163.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1607.826439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.826439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.826439 (E_RNA) where: Base-Base interactions energy: -1109.647 where: short stacking energy: -481.285 Base-Backbone interact. energy: -2.584 local terms energy: -495.594987 where: bonds (distance) C4'-P energy: -88.038 bonds (distance) P-C4' energy: -93.743 flat angles C4'-P-C4' energy: -106.148 flat angles P-C4'-P energy: -67.981 tors. eta vs tors. theta energy: -139.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1544.390908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.390908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.390908 (E_RNA) where: Base-Base interactions energy: -1056.745 where: short stacking energy: -475.658 Base-Backbone interact. energy: -2.024 local terms energy: -485.621705 where: bonds (distance) C4'-P energy: -93.366 bonds (distance) P-C4' energy: -96.219 flat angles C4'-P-C4' energy: -96.156 flat angles P-C4'-P energy: -59.501 tors. eta vs tors. theta energy: -140.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1482.656457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.656457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.656457 (E_RNA) where: Base-Base interactions energy: -1027.783 where: short stacking energy: -435.236 Base-Backbone interact. energy: -1.071 local terms energy: -453.802261 where: bonds (distance) C4'-P energy: -70.197 bonds (distance) P-C4' energy: -96.140 flat angles C4'-P-C4' energy: -100.030 flat angles P-C4'-P energy: -61.397 tors. eta vs tors. theta energy: -126.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1382.838653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.838653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.838653 (E_RNA) where: Base-Base interactions energy: -936.925 where: short stacking energy: -398.472 Base-Backbone interact. energy: -0.436 local terms energy: -445.476858 where: bonds (distance) C4'-P energy: -87.468 bonds (distance) P-C4' energy: -86.079 flat angles C4'-P-C4' energy: -92.702 flat angles P-C4'-P energy: -69.153 tors. eta vs tors. theta energy: -110.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1329.663972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.663972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.663972 (E_RNA) where: Base-Base interactions energy: -904.705 where: short stacking energy: -391.799 Base-Backbone interact. energy: -1.519 local terms energy: -423.440565 where: bonds (distance) C4'-P energy: -88.040 bonds (distance) P-C4' energy: -68.725 flat angles C4'-P-C4' energy: -86.151 flat angles P-C4'-P energy: -64.800 tors. eta vs tors. theta energy: -115.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -990.168124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.168124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.168124 (E_RNA) where: Base-Base interactions energy: -616.310 where: short stacking energy: -288.364 Base-Backbone interact. energy: -1.715 local terms energy: -372.143971 where: bonds (distance) C4'-P energy: -70.979 bonds (distance) P-C4' energy: -101.997 flat angles C4'-P-C4' energy: -82.179 flat angles P-C4'-P energy: -54.193 tors. eta vs tors. theta energy: -62.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -998.067805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.067805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.067805 (E_RNA) where: Base-Base interactions energy: -631.430 where: short stacking energy: -298.575 Base-Backbone interact. energy: -1.065 local terms energy: -365.572814 where: bonds (distance) C4'-P energy: -86.115 bonds (distance) P-C4' energy: -59.839 flat angles C4'-P-C4' energy: -87.708 flat angles P-C4'-P energy: -60.968 tors. eta vs tors. theta energy: -70.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -479.350596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.350596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.350596 (E_RNA) where: Base-Base interactions energy: -227.531 where: short stacking energy: -144.447 Base-Backbone interact. energy: -2.622 local terms energy: -249.198046 where: bonds (distance) C4'-P energy: -88.483 bonds (distance) P-C4' energy: -66.262 flat angles C4'-P-C4' energy: -66.485 flat angles P-C4'-P energy: -24.718 tors. eta vs tors. theta energy: -3.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -483.379267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.379267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.379267 (E_RNA) where: Base-Base interactions energy: -218.141 where: short stacking energy: -132.139 Base-Backbone interact. energy: -1.114 local terms energy: -264.124215 where: bonds (distance) C4'-P energy: -73.798 bonds (distance) P-C4' energy: -77.181 flat angles C4'-P-C4' energy: -69.764 flat angles P-C4'-P energy: -45.702 tors. eta vs tors. theta energy: 2.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1697.029084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.029084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.029084 (E_RNA) where: Base-Base interactions energy: -1179.195 where: short stacking energy: -504.586 Base-Backbone interact. energy: -1.860 local terms energy: -515.974613 where: bonds (distance) C4'-P energy: -100.996 bonds (distance) P-C4' energy: -86.714 flat angles C4'-P-C4' energy: -103.369 flat angles P-C4'-P energy: -70.328 tors. eta vs tors. theta energy: -154.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1608.546719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.546719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.546719 (E_RNA) where: Base-Base interactions energy: -1127.303 where: short stacking energy: -468.034 Base-Backbone interact. energy: -3.170 local terms energy: -478.073603 where: bonds (distance) C4'-P energy: -79.611 bonds (distance) P-C4' energy: -85.463 flat angles C4'-P-C4' energy: -107.188 flat angles P-C4'-P energy: -65.955 tors. eta vs tors. theta energy: -139.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1509.197236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.197236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.197236 (E_RNA) where: Base-Base interactions energy: -1039.907 where: short stacking energy: -457.205 Base-Backbone interact. energy: -1.821 local terms energy: -467.469119 where: bonds (distance) C4'-P energy: -82.632 bonds (distance) P-C4' energy: -87.912 flat angles C4'-P-C4' energy: -94.623 flat angles P-C4'-P energy: -71.204 tors. eta vs tors. theta energy: -131.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1531.247928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.247928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.247928 (E_RNA) where: Base-Base interactions energy: -1057.683 where: short stacking energy: -462.502 Base-Backbone interact. energy: -2.659 local terms energy: -470.905342 where: bonds (distance) C4'-P energy: -80.764 bonds (distance) P-C4' energy: -87.340 flat angles C4'-P-C4' energy: -95.709 flat angles P-C4'-P energy: -69.310 tors. eta vs tors. theta energy: -137.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1394.769514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.769514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.769514 (E_RNA) where: Base-Base interactions energy: -943.482 where: short stacking energy: -410.418 Base-Backbone interact. energy: -1.940 local terms energy: -449.347213 where: bonds (distance) C4'-P energy: -88.221 bonds (distance) P-C4' energy: -91.910 flat angles C4'-P-C4' energy: -87.831 flat angles P-C4'-P energy: -61.509 tors. eta vs tors. theta energy: -119.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1313.248959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.248959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.248959 (E_RNA) where: Base-Base interactions energy: -876.990 where: short stacking energy: -367.923 Base-Backbone interact. energy: -2.877 local terms energy: -433.381700 where: bonds (distance) C4'-P energy: -61.601 bonds (distance) P-C4' energy: -84.403 flat angles C4'-P-C4' energy: -98.714 flat angles P-C4'-P energy: -72.216 tors. eta vs tors. theta energy: -116.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1032.636809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.636809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.636809 (E_RNA) where: Base-Base interactions energy: -654.425 where: short stacking energy: -322.910 Base-Backbone interact. energy: 0.805 local terms energy: -379.016790 where: bonds (distance) C4'-P energy: -70.781 bonds (distance) P-C4' energy: -72.855 flat angles C4'-P-C4' energy: -86.417 flat angles P-C4'-P energy: -57.566 tors. eta vs tors. theta energy: -91.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -951.863557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.863557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.863557 (E_RNA) where: Base-Base interactions energy: -586.689 where: short stacking energy: -288.563 Base-Backbone interact. energy: -0.004 local terms energy: -365.170895 where: bonds (distance) C4'-P energy: -78.108 bonds (distance) P-C4' energy: -86.614 flat angles C4'-P-C4' energy: -78.637 flat angles P-C4'-P energy: -46.476 tors. eta vs tors. theta energy: -75.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -520.559794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.559794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.559794 (E_RNA) where: Base-Base interactions energy: -234.470 where: short stacking energy: -157.471 Base-Backbone interact. energy: -1.241 local terms energy: -284.848293 where: bonds (distance) C4'-P energy: -85.939 bonds (distance) P-C4' energy: -82.847 flat angles C4'-P-C4' energy: -75.118 flat angles P-C4'-P energy: -45.268 tors. eta vs tors. theta energy: 4.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -460.015732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.015732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.015732 (E_RNA) where: Base-Base interactions energy: -206.052 where: short stacking energy: -131.939 Base-Backbone interact. energy: 3.204 local terms energy: -257.167204 where: bonds (distance) C4'-P energy: -81.308 bonds (distance) P-C4' energy: -84.107 flat angles C4'-P-C4' energy: -60.032 flat angles P-C4'-P energy: -38.422 tors. eta vs tors. theta energy: 6.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1684.927418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.927418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.927418 (E_RNA) where: Base-Base interactions energy: -1129.629 where: short stacking energy: -498.218 Base-Backbone interact. energy: -1.363 local terms energy: -553.935840 where: bonds (distance) C4'-P energy: -98.260 bonds (distance) P-C4' energy: -106.262 flat angles C4'-P-C4' energy: -114.375 flat angles P-C4'-P energy: -73.620 tors. eta vs tors. theta energy: -161.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1629.453857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.453857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.453857 (E_RNA) where: Base-Base interactions energy: -1130.479 where: short stacking energy: -465.258 Base-Backbone interact. energy: -0.060 local terms energy: -498.915229 where: bonds (distance) C4'-P energy: -99.785 bonds (distance) P-C4' energy: -89.118 flat angles C4'-P-C4' energy: -111.413 flat angles P-C4'-P energy: -64.822 tors. eta vs tors. theta energy: -133.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1521.916263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.916263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.916263 (E_RNA) where: Base-Base interactions energy: -1039.703 where: short stacking energy: -474.883 Base-Backbone interact. energy: -3.409 local terms energy: -478.804290 where: bonds (distance) C4'-P energy: -74.837 bonds (distance) P-C4' energy: -92.929 flat angles C4'-P-C4' energy: -111.508 flat angles P-C4'-P energy: -69.894 tors. eta vs tors. theta energy: -129.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1526.281555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.281555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.281555 (E_RNA) where: Base-Base interactions energy: -1058.620 where: short stacking energy: -474.223 Base-Backbone interact. energy: -3.689 local terms energy: -463.972647 where: bonds (distance) C4'-P energy: -90.679 bonds (distance) P-C4' energy: -91.201 flat angles C4'-P-C4' energy: -88.659 flat angles P-C4'-P energy: -61.798 tors. eta vs tors. theta energy: -131.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1402.319318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.319318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.319318 (E_RNA) where: Base-Base interactions energy: -959.289 where: short stacking energy: -433.012 Base-Backbone interact. energy: 1.850 local terms energy: -444.880784 where: bonds (distance) C4'-P energy: -85.925 bonds (distance) P-C4' energy: -73.525 flat angles C4'-P-C4' energy: -98.328 flat angles P-C4'-P energy: -64.550 tors. eta vs tors. theta energy: -122.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1298.822104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.822104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.822104 (E_RNA) where: Base-Base interactions energy: -906.884 where: short stacking energy: -397.000 Base-Backbone interact. energy: 0.994 local terms energy: -392.932536 where: bonds (distance) C4'-P energy: -68.445 bonds (distance) P-C4' energy: -76.265 flat angles C4'-P-C4' energy: -85.207 flat angles P-C4'-P energy: -63.001 tors. eta vs tors. theta energy: -100.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -984.169720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.169720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.169720 (E_RNA) where: Base-Base interactions energy: -632.265 where: short stacking energy: -305.663 Base-Backbone interact. energy: -0.350 local terms energy: -351.555410 where: bonds (distance) C4'-P energy: -68.393 bonds (distance) P-C4' energy: -85.934 flat angles C4'-P-C4' energy: -76.742 flat angles P-C4'-P energy: -63.288 tors. eta vs tors. theta energy: -57.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1007.325478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.325478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.325478 (E_RNA) where: Base-Base interactions energy: -641.880 where: short stacking energy: -303.531 Base-Backbone interact. energy: -2.720 local terms energy: -362.725443 where: bonds (distance) C4'-P energy: -74.302 bonds (distance) P-C4' energy: -85.038 flat angles C4'-P-C4' energy: -78.853 flat angles P-C4'-P energy: -47.246 tors. eta vs tors. theta energy: -77.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -497.016623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.016623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.016623 (E_RNA) where: Base-Base interactions energy: -221.925 where: short stacking energy: -162.744 Base-Backbone interact. energy: -1.080 local terms energy: -274.010870 where: bonds (distance) C4'-P energy: -70.266 bonds (distance) P-C4' energy: -76.074 flat angles C4'-P-C4' energy: -67.496 flat angles P-C4'-P energy: -45.406 tors. eta vs tors. theta energy: -14.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -488.989409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.989409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.989409 (E_RNA) where: Base-Base interactions energy: -211.770 where: short stacking energy: -141.793 Base-Backbone interact. energy: -0.316 local terms energy: -276.903291 where: bonds (distance) C4'-P energy: -83.599 bonds (distance) P-C4' energy: -72.368 flat angles C4'-P-C4' energy: -71.298 flat angles P-C4'-P energy: -44.922 tors. eta vs tors. theta energy: -4.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1659.159453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.159453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.159453 (E_RNA) where: Base-Base interactions energy: -1159.791 where: short stacking energy: -508.853 Base-Backbone interact. energy: -5.120 local terms energy: -494.248666 where: bonds (distance) C4'-P energy: -88.676 bonds (distance) P-C4' energy: -86.605 flat angles C4'-P-C4' energy: -107.514 flat angles P-C4'-P energy: -72.140 tors. eta vs tors. theta energy: -139.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1662.097859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.097859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.097859 (E_RNA) where: Base-Base interactions energy: -1134.969 where: short stacking energy: -505.895 Base-Backbone interact. energy: -1.194 local terms energy: -525.935121 where: bonds (distance) C4'-P energy: -92.073 bonds (distance) P-C4' energy: -94.729 flat angles C4'-P-C4' energy: -106.052 flat angles P-C4'-P energy: -73.119 tors. eta vs tors. theta energy: -159.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1527.899774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.899774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.899774 (E_RNA) where: Base-Base interactions energy: -1057.602 where: short stacking energy: -468.721 Base-Backbone interact. energy: -1.696 local terms energy: -468.602199 where: bonds (distance) C4'-P energy: -84.691 bonds (distance) P-C4' energy: -92.539 flat angles C4'-P-C4' energy: -110.315 flat angles P-C4'-P energy: -52.611 tors. eta vs tors. theta energy: -128.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1569.460487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.460487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.460487 (E_RNA) where: Base-Base interactions energy: -1066.945 where: short stacking energy: -470.405 Base-Backbone interact. energy: -2.326 local terms energy: -500.189452 where: bonds (distance) C4'-P energy: -88.907 bonds (distance) P-C4' energy: -91.770 flat angles C4'-P-C4' energy: -114.339 flat angles P-C4'-P energy: -67.572 tors. eta vs tors. theta energy: -137.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1390.981214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.981214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.981214 (E_RNA) where: Base-Base interactions energy: -968.955 where: short stacking energy: -415.854 Base-Backbone interact. energy: -0.274 local terms energy: -421.751923 where: bonds (distance) C4'-P energy: -81.144 bonds (distance) P-C4' energy: -80.307 flat angles C4'-P-C4' energy: -88.252 flat angles P-C4'-P energy: -61.812 tors. eta vs tors. theta energy: -110.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1261.580148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.580148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.580148 (E_RNA) where: Base-Base interactions energy: -858.899 where: short stacking energy: -392.212 Base-Backbone interact. energy: 0.276 local terms energy: -402.957529 where: bonds (distance) C4'-P energy: -64.528 bonds (distance) P-C4' energy: -86.645 flat angles C4'-P-C4' energy: -88.598 flat angles P-C4'-P energy: -57.603 tors. eta vs tors. theta energy: -105.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1092.188679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.188679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.188679 (E_RNA) where: Base-Base interactions energy: -711.963 where: short stacking energy: -353.511 Base-Backbone interact. energy: -2.203 local terms energy: -378.023280 where: bonds (distance) C4'-P energy: -75.449 bonds (distance) P-C4' energy: -71.929 flat angles C4'-P-C4' energy: -76.457 flat angles P-C4'-P energy: -56.106 tors. eta vs tors. theta energy: -98.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -913.698409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.698409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.698409 (E_RNA) where: Base-Base interactions energy: -567.561 where: short stacking energy: -266.342 Base-Backbone interact. energy: 1.512 local terms energy: -347.648837 where: bonds (distance) C4'-P energy: -78.854 bonds (distance) P-C4' energy: -89.428 flat angles C4'-P-C4' energy: -81.379 flat angles P-C4'-P energy: -41.090 tors. eta vs tors. theta energy: -56.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -510.990545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.990545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.990545 (E_RNA) where: Base-Base interactions energy: -252.819 where: short stacking energy: -172.916 Base-Backbone interact. energy: 4.925 local terms energy: -263.096936 where: bonds (distance) C4'-P energy: -53.380 bonds (distance) P-C4' energy: -76.839 flat angles C4'-P-C4' energy: -75.358 flat angles P-C4'-P energy: -41.722 tors. eta vs tors. theta energy: -15.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -463.278537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.278537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.278537 (E_RNA) where: Base-Base interactions energy: -203.870 where: short stacking energy: -134.855 Base-Backbone interact. energy: 2.472 local terms energy: -261.880136 where: bonds (distance) C4'-P energy: -70.816 bonds (distance) P-C4' energy: -74.560 flat angles C4'-P-C4' energy: -70.200 flat angles P-C4'-P energy: -37.780 tors. eta vs tors. theta energy: -8.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1658.412758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.412758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.412758 (E_RNA) where: Base-Base interactions energy: -1151.347 where: short stacking energy: -495.707 Base-Backbone interact. energy: -0.696 local terms energy: -506.369963 where: bonds (distance) C4'-P energy: -85.016 bonds (distance) P-C4' energy: -97.383 flat angles C4'-P-C4' energy: -98.460 flat angles P-C4'-P energy: -81.270 tors. eta vs tors. theta energy: -144.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1647.650765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.650765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.650765 (E_RNA) where: Base-Base interactions energy: -1125.471 where: short stacking energy: -510.495 Base-Backbone interact. energy: -2.221 local terms energy: -519.959386 where: bonds (distance) C4'-P energy: -88.859 bonds (distance) P-C4' energy: -88.161 flat angles C4'-P-C4' energy: -110.212 flat angles P-C4'-P energy: -83.793 tors. eta vs tors. theta energy: -148.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1531.961561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.961561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.961561 (E_RNA) where: Base-Base interactions energy: -1079.413 where: short stacking energy: -458.835 Base-Backbone interact. energy: -0.434 local terms energy: -452.114049 where: bonds (distance) C4'-P energy: -73.699 bonds (distance) P-C4' energy: -79.918 flat angles C4'-P-C4' energy: -103.990 flat angles P-C4'-P energy: -63.835 tors. eta vs tors. theta energy: -130.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1538.221411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.221411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.221411 (E_RNA) where: Base-Base interactions energy: -1048.568 where: short stacking energy: -468.258 Base-Backbone interact. energy: -0.000 local terms energy: -489.653402 where: bonds (distance) C4'-P energy: -81.851 bonds (distance) P-C4' energy: -94.157 flat angles C4'-P-C4' energy: -94.755 flat angles P-C4'-P energy: -64.680 tors. eta vs tors. theta energy: -154.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1415.126275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.126275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.126275 (E_RNA) where: Base-Base interactions energy: -965.849 where: short stacking energy: -432.099 Base-Backbone interact. energy: -1.878 local terms energy: -447.399536 where: bonds (distance) C4'-P energy: -83.360 bonds (distance) P-C4' energy: -89.684 flat angles C4'-P-C4' energy: -96.102 flat angles P-C4'-P energy: -56.463 tors. eta vs tors. theta energy: -121.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1335.402501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.402501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.402501 (E_RNA) where: Base-Base interactions energy: -891.667 where: short stacking energy: -361.763 Base-Backbone interact. energy: 1.939 local terms energy: -445.675106 where: bonds (distance) C4'-P energy: -95.747 bonds (distance) P-C4' energy: -91.437 flat angles C4'-P-C4' energy: -98.763 flat angles P-C4'-P energy: -55.439 tors. eta vs tors. theta energy: -104.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1048.982104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.982104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.982104 (E_RNA) where: Base-Base interactions energy: -650.921 where: short stacking energy: -296.765 Base-Backbone interact. energy: 0.241 local terms energy: -398.301801 where: bonds (distance) C4'-P energy: -83.585 bonds (distance) P-C4' energy: -92.900 flat angles C4'-P-C4' energy: -92.875 flat angles P-C4'-P energy: -55.165 tors. eta vs tors. theta energy: -73.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -900.484604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.484604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.484604 (E_RNA) where: Base-Base interactions energy: -567.129 where: short stacking energy: -264.891 Base-Backbone interact. energy: -1.599 local terms energy: -331.755858 where: bonds (distance) C4'-P energy: -82.577 bonds (distance) P-C4' energy: -68.635 flat angles C4'-P-C4' energy: -77.829 flat angles P-C4'-P energy: -45.954 tors. eta vs tors. theta energy: -56.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -512.951546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.951546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.951546 (E_RNA) where: Base-Base interactions energy: -250.267 where: short stacking energy: -176.362 Base-Backbone interact. energy: 1.084 local terms energy: -263.768905 where: bonds (distance) C4'-P energy: -63.289 bonds (distance) P-C4' energy: -76.488 flat angles C4'-P-C4' energy: -75.512 flat angles P-C4'-P energy: -45.033 tors. eta vs tors. theta energy: -3.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -471.175692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.175692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.175692 (E_RNA) where: Base-Base interactions energy: -218.876 where: short stacking energy: -145.050 Base-Backbone interact. energy: -0.602 local terms energy: -251.697288 where: bonds (distance) C4'-P energy: -67.833 bonds (distance) P-C4' energy: -76.260 flat angles C4'-P-C4' energy: -75.007 flat angles P-C4'-P energy: -24.230 tors. eta vs tors. theta energy: -8.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1651.100594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.100594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.100594 (E_RNA) where: Base-Base interactions energy: -1149.388 where: short stacking energy: -510.991 Base-Backbone interact. energy: -4.140 local terms energy: -497.572945 where: bonds (distance) C4'-P energy: -80.667 bonds (distance) P-C4' energy: -95.376 flat angles C4'-P-C4' energy: -107.702 flat angles P-C4'-P energy: -67.248 tors. eta vs tors. theta energy: -146.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1652.909599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.909599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.909599 (E_RNA) where: Base-Base interactions energy: -1139.383 where: short stacking energy: -493.774 Base-Backbone interact. energy: -0.859 local terms energy: -512.667650 where: bonds (distance) C4'-P energy: -86.536 bonds (distance) P-C4' energy: -92.377 flat angles C4'-P-C4' energy: -108.335 flat angles P-C4'-P energy: -73.278 tors. eta vs tors. theta energy: -152.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1584.406721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.406721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.406721 (E_RNA) where: Base-Base interactions energy: -1091.867 where: short stacking energy: -487.140 Base-Backbone interact. energy: -0.841 local terms energy: -491.698166 where: bonds (distance) C4'-P energy: -90.258 bonds (distance) P-C4' energy: -90.377 flat angles C4'-P-C4' energy: -102.805 flat angles P-C4'-P energy: -60.391 tors. eta vs tors. theta energy: -147.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1474.780946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.780946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.780946 (E_RNA) where: Base-Base interactions energy: -1019.111 where: short stacking energy: -438.266 Base-Backbone interact. energy: 0.653 local terms energy: -456.322888 where: bonds (distance) C4'-P energy: -73.486 bonds (distance) P-C4' energy: -89.150 flat angles C4'-P-C4' energy: -98.169 flat angles P-C4'-P energy: -75.560 tors. eta vs tors. theta energy: -119.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1350.022367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.022367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.022367 (E_RNA) where: Base-Base interactions energy: -916.388 where: short stacking energy: -366.062 Base-Backbone interact. energy: -1.740 local terms energy: -431.894204 where: bonds (distance) C4'-P energy: -76.844 bonds (distance) P-C4' energy: -83.717 flat angles C4'-P-C4' energy: -84.500 flat angles P-C4'-P energy: -74.522 tors. eta vs tors. theta energy: -112.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1288.538095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.538095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.538095 (E_RNA) where: Base-Base interactions energy: -874.985 where: short stacking energy: -376.198 Base-Backbone interact. energy: -2.212 local terms energy: -411.341810 where: bonds (distance) C4'-P energy: -89.052 bonds (distance) P-C4' energy: -78.490 flat angles C4'-P-C4' energy: -95.655 flat angles P-C4'-P energy: -44.283 tors. eta vs tors. theta energy: -103.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1044.926863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.926863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.926863 (E_RNA) where: Base-Base interactions energy: -679.169 where: short stacking energy: -364.084 Base-Backbone interact. energy: 0.267 local terms energy: -366.024918 where: bonds (distance) C4'-P energy: -51.040 bonds (distance) P-C4' energy: -75.229 flat angles C4'-P-C4' energy: -94.729 flat angles P-C4'-P energy: -55.857 tors. eta vs tors. theta energy: -89.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -887.626168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.626168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.626168 (E_RNA) where: Base-Base interactions energy: -550.606 where: short stacking energy: -276.778 Base-Backbone interact. energy: 0.325 local terms energy: -337.345276 where: bonds (distance) C4'-P energy: -65.767 bonds (distance) P-C4' energy: -76.987 flat angles C4'-P-C4' energy: -90.224 flat angles P-C4'-P energy: -53.096 tors. eta vs tors. theta energy: -51.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -494.513808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.513808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.513808 (E_RNA) where: Base-Base interactions energy: -222.885 where: short stacking energy: -145.021 Base-Backbone interact. energy: -0.655 local terms energy: -270.974318 where: bonds (distance) C4'-P energy: -75.004 bonds (distance) P-C4' energy: -90.383 flat angles C4'-P-C4' energy: -65.080 flat angles P-C4'-P energy: -38.658 tors. eta vs tors. theta energy: -1.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -492.677074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.677074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.677074 (E_RNA) where: Base-Base interactions energy: -225.308 where: short stacking energy: -136.438 Base-Backbone interact. energy: -2.636 local terms energy: -264.732759 where: bonds (distance) C4'-P energy: -79.697 bonds (distance) P-C4' energy: -73.881 flat angles C4'-P-C4' energy: -74.908 flat angles P-C4'-P energy: -38.475 tors. eta vs tors. theta energy: 2.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1676.530994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.530994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.530994 (E_RNA) where: Base-Base interactions energy: -1138.915 where: short stacking energy: -491.805 Base-Backbone interact. energy: -2.070 local terms energy: -535.546630 where: bonds (distance) C4'-P energy: -103.142 bonds (distance) P-C4' energy: -97.278 flat angles C4'-P-C4' energy: -108.337 flat angles P-C4'-P energy: -78.022 tors. eta vs tors. theta energy: -148.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1655.986091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.986091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.986091 (E_RNA) where: Base-Base interactions energy: -1125.625 where: short stacking energy: -506.979 Base-Backbone interact. energy: -1.985 local terms energy: -528.375552 where: bonds (distance) C4'-P energy: -98.900 bonds (distance) P-C4' energy: -93.764 flat angles C4'-P-C4' energy: -113.848 flat angles P-C4'-P energy: -65.109 tors. eta vs tors. theta energy: -156.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1599.935991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.935991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.935991 (E_RNA) where: Base-Base interactions energy: -1102.694 where: short stacking energy: -497.126 Base-Backbone interact. energy: -1.064 local terms energy: -496.177741 where: bonds (distance) C4'-P energy: -88.867 bonds (distance) P-C4' energy: -87.496 flat angles C4'-P-C4' energy: -98.313 flat angles P-C4'-P energy: -68.817 tors. eta vs tors. theta energy: -152.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1494.547464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.547464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.547464 (E_RNA) where: Base-Base interactions energy: -1006.806 where: short stacking energy: -454.286 Base-Backbone interact. energy: -0.581 local terms energy: -487.161203 where: bonds (distance) C4'-P energy: -97.037 bonds (distance) P-C4' energy: -87.661 flat angles C4'-P-C4' energy: -104.032 flat angles P-C4'-P energy: -69.051 tors. eta vs tors. theta energy: -129.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1369.394021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.394021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.394021 (E_RNA) where: Base-Base interactions energy: -920.784 where: short stacking energy: -397.598 Base-Backbone interact. energy: -2.754 local terms energy: -445.856563 where: bonds (distance) C4'-P energy: -85.387 bonds (distance) P-C4' energy: -86.645 flat angles C4'-P-C4' energy: -99.168 flat angles P-C4'-P energy: -62.463 tors. eta vs tors. theta energy: -112.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1289.194520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.194520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.194520 (E_RNA) where: Base-Base interactions energy: -873.260 where: short stacking energy: -379.471 Base-Backbone interact. energy: -0.316 local terms energy: -415.618611 where: bonds (distance) C4'-P energy: -94.119 bonds (distance) P-C4' energy: -74.886 flat angles C4'-P-C4' energy: -96.501 flat angles P-C4'-P energy: -58.581 tors. eta vs tors. theta energy: -91.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1100.392279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.392279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.392279 (E_RNA) where: Base-Base interactions energy: -685.411 where: short stacking energy: -332.213 Base-Backbone interact. energy: -0.599 local terms energy: -414.382503 where: bonds (distance) C4'-P energy: -89.731 bonds (distance) P-C4' energy: -81.068 flat angles C4'-P-C4' energy: -99.048 flat angles P-C4'-P energy: -57.494 tors. eta vs tors. theta energy: -87.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -865.480284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.480284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.480284 (E_RNA) where: Base-Base interactions energy: -531.411 where: short stacking energy: -231.109 Base-Backbone interact. energy: -2.153 local terms energy: -331.916702 where: bonds (distance) C4'-P energy: -78.864 bonds (distance) P-C4' energy: -90.524 flat angles C4'-P-C4' energy: -77.414 flat angles P-C4'-P energy: -50.368 tors. eta vs tors. theta energy: -34.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -502.409166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.409166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.409166 (E_RNA) where: Base-Base interactions energy: -213.545 where: short stacking energy: -141.886 Base-Backbone interact. energy: -0.497 local terms energy: -288.367124 where: bonds (distance) C4'-P energy: -89.446 bonds (distance) P-C4' energy: -72.199 flat angles C4'-P-C4' energy: -72.781 flat angles P-C4'-P energy: -40.927 tors. eta vs tors. theta energy: -13.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -508.332075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.332075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.332075 (E_RNA) where: Base-Base interactions energy: -245.443 where: short stacking energy: -132.548 Base-Backbone interact. energy: -2.343 local terms energy: -260.546161 where: bonds (distance) C4'-P energy: -76.681 bonds (distance) P-C4' energy: -74.635 flat angles C4'-P-C4' energy: -73.717 flat angles P-C4'-P energy: -31.999 tors. eta vs tors. theta energy: -3.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1670.899921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.899921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.899921 (E_RNA) where: Base-Base interactions energy: -1175.604 where: short stacking energy: -485.355 Base-Backbone interact. energy: -3.197 local terms energy: -492.099317 where: bonds (distance) C4'-P energy: -80.023 bonds (distance) P-C4' energy: -89.764 flat angles C4'-P-C4' energy: -107.247 flat angles P-C4'-P energy: -68.910 tors. eta vs tors. theta energy: -146.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1639.667082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.667082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.667082 (E_RNA) where: Base-Base interactions energy: -1149.233 where: short stacking energy: -509.214 Base-Backbone interact. energy: -1.294 local terms energy: -489.140331 where: bonds (distance) C4'-P energy: -73.080 bonds (distance) P-C4' energy: -86.732 flat angles C4'-P-C4' energy: -105.668 flat angles P-C4'-P energy: -69.839 tors. eta vs tors. theta energy: -153.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1598.498730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.498730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.498730 (E_RNA) where: Base-Base interactions energy: -1091.612 where: short stacking energy: -498.498 Base-Backbone interact. energy: -0.946 local terms energy: -505.941277 where: bonds (distance) C4'-P energy: -81.648 bonds (distance) P-C4' energy: -92.880 flat angles C4'-P-C4' energy: -108.042 flat angles P-C4'-P energy: -72.217 tors. eta vs tors. theta energy: -151.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1483.693915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.693915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.693915 (E_RNA) where: Base-Base interactions energy: -1002.574 where: short stacking energy: -440.656 Base-Backbone interact. energy: -2.633 local terms energy: -478.486558 where: bonds (distance) C4'-P energy: -69.796 bonds (distance) P-C4' energy: -85.709 flat angles C4'-P-C4' energy: -109.989 flat angles P-C4'-P energy: -77.197 tors. eta vs tors. theta energy: -135.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -1333.144320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.144320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.144320 (E_RNA) where: Base-Base interactions energy: -898.284 where: short stacking energy: -390.903 Base-Backbone interact. energy: -3.179 local terms energy: -431.680611 where: bonds (distance) C4'-P energy: -93.275 bonds (distance) P-C4' energy: -80.119 flat angles C4'-P-C4' energy: -74.174 flat angles P-C4'-P energy: -64.638 tors. eta vs tors. theta energy: -119.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -1259.336603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.336603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.336603 (E_RNA) where: Base-Base interactions energy: -827.173 where: short stacking energy: -358.169 Base-Backbone interact. energy: -1.293 local terms energy: -430.870598 where: bonds (distance) C4'-P energy: -83.885 bonds (distance) P-C4' energy: -83.978 flat angles C4'-P-C4' energy: -91.963 flat angles P-C4'-P energy: -67.440 tors. eta vs tors. theta energy: -103.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1155.705118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.705118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.705118 (E_RNA) where: Base-Base interactions energy: -766.277 where: short stacking energy: -362.106 Base-Backbone interact. energy: 2.068 local terms energy: -391.495599 where: bonds (distance) C4'-P energy: -83.245 bonds (distance) P-C4' energy: -62.185 flat angles C4'-P-C4' energy: -90.640 flat angles P-C4'-P energy: -59.832 tors. eta vs tors. theta energy: -95.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -833.941048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.941048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.941048 (E_RNA) where: Base-Base interactions energy: -525.879 where: short stacking energy: -273.332 Base-Backbone interact. energy: -1.792 local terms energy: -306.269245 where: bonds (distance) C4'-P energy: -67.667 bonds (distance) P-C4' energy: -58.416 flat angles C4'-P-C4' energy: -82.466 flat angles P-C4'-P energy: -49.811 tors. eta vs tors. theta energy: -47.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -532.547832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.547832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.547832 (E_RNA) where: Base-Base interactions energy: -260.437 where: short stacking energy: -153.177 Base-Backbone interact. energy: 0.153 local terms energy: -272.263320 where: bonds (distance) C4'-P energy: -78.260 bonds (distance) P-C4' energy: -83.550 flat angles C4'-P-C4' energy: -73.532 flat angles P-C4'-P energy: -27.561 tors. eta vs tors. theta energy: -9.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -479.375113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.375113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.375113 (E_RNA) where: Base-Base interactions energy: -222.343 where: short stacking energy: -140.328 Base-Backbone interact. energy: -1.038 local terms energy: -255.993325 where: bonds (distance) C4'-P energy: -73.884 bonds (distance) P-C4' energy: -82.497 flat angles C4'-P-C4' energy: -56.931 flat angles P-C4'-P energy: -41.178 tors. eta vs tors. theta energy: -1.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1664.821331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.821331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.821331 (E_RNA) where: Base-Base interactions energy: -1168.213 where: short stacking energy: -502.417 Base-Backbone interact. energy: -0.972 local terms energy: -495.636096 where: bonds (distance) C4'-P energy: -93.582 bonds (distance) P-C4' energy: -97.575 flat angles C4'-P-C4' energy: -103.320 flat angles P-C4'-P energy: -59.627 tors. eta vs tors. theta energy: -141.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1650.023260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.023260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.023260 (E_RNA) where: Base-Base interactions energy: -1158.679 where: short stacking energy: -505.810 Base-Backbone interact. energy: -2.313 local terms energy: -489.031796 where: bonds (distance) C4'-P energy: -83.287 bonds (distance) P-C4' energy: -95.593 flat angles C4'-P-C4' energy: -102.003 flat angles P-C4'-P energy: -49.077 tors. eta vs tors. theta energy: -159.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1585.960680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.960680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.960680 (E_RNA) where: Base-Base interactions energy: -1104.786 where: short stacking energy: -487.697 Base-Backbone interact. energy: -1.048 local terms energy: -480.126888 where: bonds (distance) C4'-P energy: -81.590 bonds (distance) P-C4' energy: -78.388 flat angles C4'-P-C4' energy: -96.406 flat angles P-C4'-P energy: -72.830 tors. eta vs tors. theta energy: -150.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1439.259171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.259171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.259171 (E_RNA) where: Base-Base interactions energy: -986.401 where: short stacking energy: -407.930 Base-Backbone interact. energy: -2.235 local terms energy: -450.622538 where: bonds (distance) C4'-P energy: -85.003 bonds (distance) P-C4' energy: -89.044 flat angles C4'-P-C4' energy: -100.075 flat angles P-C4'-P energy: -54.392 tors. eta vs tors. theta energy: -122.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1339.680167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.680167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.680167 (E_RNA) where: Base-Base interactions energy: -893.134 where: short stacking energy: -402.896 Base-Backbone interact. energy: -2.608 local terms energy: -443.938207 where: bonds (distance) C4'-P energy: -71.090 bonds (distance) P-C4' energy: -97.965 flat angles C4'-P-C4' energy: -90.211 flat angles P-C4'-P energy: -67.864 tors. eta vs tors. theta energy: -116.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1253.127786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.127786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.127786 (E_RNA) where: Base-Base interactions energy: -829.612 where: short stacking energy: -367.615 Base-Backbone interact. energy: -1.723 local terms energy: -421.793057 where: bonds (distance) C4'-P energy: -78.270 bonds (distance) P-C4' energy: -93.510 flat angles C4'-P-C4' energy: -88.189 flat angles P-C4'-P energy: -55.873 tors. eta vs tors. theta energy: -105.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1090.505527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.505527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.505527 (E_RNA) where: Base-Base interactions energy: -680.412 where: short stacking energy: -313.868 Base-Backbone interact. energy: -0.585 local terms energy: -409.507990 where: bonds (distance) C4'-P energy: -77.474 bonds (distance) P-C4' energy: -85.426 flat angles C4'-P-C4' energy: -89.004 flat angles P-C4'-P energy: -61.816 tors. eta vs tors. theta energy: -95.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -847.817665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.817665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.817665 (E_RNA) where: Base-Base interactions energy: -498.402 where: short stacking energy: -236.847 Base-Backbone interact. energy: -2.078 local terms energy: -347.337791 where: bonds (distance) C4'-P energy: -74.245 bonds (distance) P-C4' energy: -87.116 flat angles C4'-P-C4' energy: -86.243 flat angles P-C4'-P energy: -51.216 tors. eta vs tors. theta energy: -48.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -532.676835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.676835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.676835 (E_RNA) where: Base-Base interactions energy: -258.836 where: short stacking energy: -147.659 Base-Backbone interact. energy: 1.207 local terms energy: -275.047189 where: bonds (distance) C4'-P energy: -66.542 bonds (distance) P-C4' energy: -81.261 flat angles C4'-P-C4' energy: -75.929 flat angles P-C4'-P energy: -48.412 tors. eta vs tors. theta energy: -2.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -495.068862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.068862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.068862 (E_RNA) where: Base-Base interactions energy: -229.933 where: short stacking energy: -154.625 Base-Backbone interact. energy: 0.929 local terms energy: -266.064769 where: bonds (distance) C4'-P energy: -74.643 bonds (distance) P-C4' energy: -70.760 flat angles C4'-P-C4' energy: -74.123 flat angles P-C4'-P energy: -37.643 tors. eta vs tors. theta energy: -8.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1698.425542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.425542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.425542 (E_RNA) where: Base-Base interactions energy: -1175.468 where: short stacking energy: -504.542 Base-Backbone interact. energy: -2.314 local terms energy: -520.643059 where: bonds (distance) C4'-P energy: -92.965 bonds (distance) P-C4' energy: -96.083 flat angles C4'-P-C4' energy: -104.995 flat angles P-C4'-P energy: -74.089 tors. eta vs tors. theta energy: -152.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1657.795378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.795378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.795378 (E_RNA) where: Base-Base interactions energy: -1142.636 where: short stacking energy: -489.890 Base-Backbone interact. energy: -2.213 local terms energy: -512.946639 where: bonds (distance) C4'-P energy: -88.539 bonds (distance) P-C4' energy: -96.090 flat angles C4'-P-C4' energy: -110.444 flat angles P-C4'-P energy: -70.711 tors. eta vs tors. theta energy: -147.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1578.233534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.233534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.233534 (E_RNA) where: Base-Base interactions energy: -1082.208 where: short stacking energy: -474.910 Base-Backbone interact. energy: 0.094 local terms energy: -496.120040 where: bonds (distance) C4'-P energy: -83.795 bonds (distance) P-C4' energy: -88.572 flat angles C4'-P-C4' energy: -106.064 flat angles P-C4'-P energy: -69.817 tors. eta vs tors. theta energy: -147.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1506.624585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.624585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.624585 (E_RNA) where: Base-Base interactions energy: -1023.968 where: short stacking energy: -447.327 Base-Backbone interact. energy: -2.509 local terms energy: -480.147847 where: bonds (distance) C4'-P energy: -90.245 bonds (distance) P-C4' energy: -72.275 flat angles C4'-P-C4' energy: -107.636 flat angles P-C4'-P energy: -80.773 tors. eta vs tors. theta energy: -129.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1370.153841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.153841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.153841 (E_RNA) where: Base-Base interactions energy: -919.188 where: short stacking energy: -419.902 Base-Backbone interact. energy: -2.804 local terms energy: -448.162104 where: bonds (distance) C4'-P energy: -71.559 bonds (distance) P-C4' energy: -89.855 flat angles C4'-P-C4' energy: -96.261 flat angles P-C4'-P energy: -72.792 tors. eta vs tors. theta energy: -117.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1219.297126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.297126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.297126 (E_RNA) where: Base-Base interactions energy: -805.690 where: short stacking energy: -362.956 Base-Backbone interact. energy: -0.397 local terms energy: -413.210016 where: bonds (distance) C4'-P energy: -82.432 bonds (distance) P-C4' energy: -80.741 flat angles C4'-P-C4' energy: -99.613 flat angles P-C4'-P energy: -56.196 tors. eta vs tors. theta energy: -94.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1063.798065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.798065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.798065 (E_RNA) where: Base-Base interactions energy: -679.881 where: short stacking energy: -326.862 Base-Backbone interact. energy: 0.806 local terms energy: -384.723092 where: bonds (distance) C4'-P energy: -92.563 bonds (distance) P-C4' energy: -82.049 flat angles C4'-P-C4' energy: -88.958 flat angles P-C4'-P energy: -47.278 tors. eta vs tors. theta energy: -73.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -898.984039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.984039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.984039 (E_RNA) where: Base-Base interactions energy: -575.888 where: short stacking energy: -281.076 Base-Backbone interact. energy: -2.760 local terms energy: -320.336094 where: bonds (distance) C4'-P energy: -75.475 bonds (distance) P-C4' energy: -77.076 flat angles C4'-P-C4' energy: -78.678 flat angles P-C4'-P energy: -35.228 tors. eta vs tors. theta energy: -53.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -502.098825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.098825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.098825 (E_RNA) where: Base-Base interactions energy: -226.905 where: short stacking energy: -125.135 Base-Backbone interact. energy: -2.623 local terms energy: -272.571265 where: bonds (distance) C4'-P energy: -73.842 bonds (distance) P-C4' energy: -83.277 flat angles C4'-P-C4' energy: -73.360 flat angles P-C4'-P energy: -44.688 tors. eta vs tors. theta energy: 2.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -498.926788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.926788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.926788 (E_RNA) where: Base-Base interactions energy: -243.299 where: short stacking energy: -132.153 Base-Backbone interact. energy: -1.474 local terms energy: -254.153783 where: bonds (distance) C4'-P energy: -64.554 bonds (distance) P-C4' energy: -88.061 flat angles C4'-P-C4' energy: -61.014 flat angles P-C4'-P energy: -48.994 tors. eta vs tors. theta energy: 8.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1712.533231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.533231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.533231 (E_RNA) where: Base-Base interactions energy: -1176.127 where: short stacking energy: -507.823 Base-Backbone interact. energy: -5.453 local terms energy: -530.953594 where: bonds (distance) C4'-P energy: -94.982 bonds (distance) P-C4' energy: -95.436 flat angles C4'-P-C4' energy: -102.583 flat angles P-C4'-P energy: -75.575 tors. eta vs tors. theta energy: -162.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1634.412270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.412270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.412270 (E_RNA) where: Base-Base interactions energy: -1118.736 where: short stacking energy: -492.716 Base-Backbone interact. energy: -3.267 local terms energy: -512.409599 where: bonds (distance) C4'-P energy: -84.386 bonds (distance) P-C4' energy: -101.253 flat angles C4'-P-C4' energy: -101.806 flat angles P-C4'-P energy: -70.828 tors. eta vs tors. theta energy: -154.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1627.556148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.556148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.556148 (E_RNA) where: Base-Base interactions energy: -1138.529 where: short stacking energy: -495.095 Base-Backbone interact. energy: -0.018 local terms energy: -489.009118 where: bonds (distance) C4'-P energy: -84.519 bonds (distance) P-C4' energy: -86.650 flat angles C4'-P-C4' energy: -101.799 flat angles P-C4'-P energy: -67.863 tors. eta vs tors. theta energy: -148.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1476.329621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.329621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.329621 (E_RNA) where: Base-Base interactions energy: -1021.924 where: short stacking energy: -447.238 Base-Backbone interact. energy: -2.184 local terms energy: -452.221558 where: bonds (distance) C4'-P energy: -84.848 bonds (distance) P-C4' energy: -71.678 flat angles C4'-P-C4' energy: -105.401 flat angles P-C4'-P energy: -60.846 tors. eta vs tors. theta energy: -129.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1361.746418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.746418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.746418 (E_RNA) where: Base-Base interactions energy: -908.920 where: short stacking energy: -403.323 Base-Backbone interact. energy: -2.713 local terms energy: -450.114153 where: bonds (distance) C4'-P energy: -82.159 bonds (distance) P-C4' energy: -91.820 flat angles C4'-P-C4' energy: -95.913 flat angles P-C4'-P energy: -64.481 tors. eta vs tors. theta energy: -115.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1165.351011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.351011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.351011 (E_RNA) where: Base-Base interactions energy: -758.181 where: short stacking energy: -349.814 Base-Backbone interact. energy: -1.794 local terms energy: -405.376238 where: bonds (distance) C4'-P energy: -85.798 bonds (distance) P-C4' energy: -84.179 flat angles C4'-P-C4' energy: -88.591 flat angles P-C4'-P energy: -62.082 tors. eta vs tors. theta energy: -84.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1080.310311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.310311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.310311 (E_RNA) where: Base-Base interactions energy: -695.519 where: short stacking energy: -342.654 Base-Backbone interact. energy: -1.813 local terms energy: -382.978000 where: bonds (distance) C4'-P energy: -73.246 bonds (distance) P-C4' energy: -85.717 flat angles C4'-P-C4' energy: -80.324 flat angles P-C4'-P energy: -58.757 tors. eta vs tors. theta energy: -84.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -855.709206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.709206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.709206 (E_RNA) where: Base-Base interactions energy: -513.955 where: short stacking energy: -263.217 Base-Backbone interact. energy: 1.615 local terms energy: -343.369010 where: bonds (distance) C4'-P energy: -76.619 bonds (distance) P-C4' energy: -70.925 flat angles C4'-P-C4' energy: -79.114 flat angles P-C4'-P energy: -56.733 tors. eta vs tors. theta energy: -59.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -522.617156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.617156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.617156 (E_RNA) where: Base-Base interactions energy: -234.195 where: short stacking energy: -125.523 Base-Backbone interact. energy: -1.425 local terms energy: -286.997251 where: bonds (distance) C4'-P energy: -83.635 bonds (distance) P-C4' energy: -93.661 flat angles C4'-P-C4' energy: -88.546 flat angles P-C4'-P energy: -26.268 tors. eta vs tors. theta energy: 5.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -495.503284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.503284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.503284 (E_RNA) where: Base-Base interactions energy: -233.415 where: short stacking energy: -113.309 Base-Backbone interact. energy: -0.601 local terms energy: -261.486974 where: bonds (distance) C4'-P energy: -63.725 bonds (distance) P-C4' energy: -77.320 flat angles C4'-P-C4' energy: -76.733 flat angles P-C4'-P energy: -45.294 tors. eta vs tors. theta energy: 1.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1708.847294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.847294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.847294 (E_RNA) where: Base-Base interactions energy: -1169.754 where: short stacking energy: -515.481 Base-Backbone interact. energy: -0.633 local terms energy: -538.460308 where: bonds (distance) C4'-P energy: -96.140 bonds (distance) P-C4' energy: -94.282 flat angles C4'-P-C4' energy: -110.174 flat angles P-C4'-P energy: -75.044 tors. eta vs tors. theta energy: -162.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1651.805620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.805620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.805620 (E_RNA) where: Base-Base interactions energy: -1131.262 where: short stacking energy: -504.688 Base-Backbone interact. energy: -3.858 local terms energy: -516.685094 where: bonds (distance) C4'-P energy: -91.414 bonds (distance) P-C4' energy: -98.314 flat angles C4'-P-C4' energy: -99.397 flat angles P-C4'-P energy: -71.427 tors. eta vs tors. theta energy: -156.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1582.814669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.814669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.814669 (E_RNA) where: Base-Base interactions energy: -1098.359 where: short stacking energy: -479.380 Base-Backbone interact. energy: -1.249 local terms energy: -483.206130 where: bonds (distance) C4'-P energy: -75.284 bonds (distance) P-C4' energy: -89.157 flat angles C4'-P-C4' energy: -103.383 flat angles P-C4'-P energy: -69.254 tors. eta vs tors. theta energy: -146.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1469.239301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.239301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.239301 (E_RNA) where: Base-Base interactions energy: -985.896 where: short stacking energy: -442.175 Base-Backbone interact. energy: -1.308 local terms energy: -482.035012 where: bonds (distance) C4'-P energy: -93.903 bonds (distance) P-C4' energy: -89.721 flat angles C4'-P-C4' energy: -104.006 flat angles P-C4'-P energy: -67.155 tors. eta vs tors. theta energy: -127.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1333.272846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.272846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.272846 (E_RNA) where: Base-Base interactions energy: -916.382 where: short stacking energy: -403.768 Base-Backbone interact. energy: -0.843 local terms energy: -416.048055 where: bonds (distance) C4'-P energy: -76.025 bonds (distance) P-C4' energy: -73.649 flat angles C4'-P-C4' energy: -89.634 flat angles P-C4'-P energy: -61.209 tors. eta vs tors. theta energy: -115.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1200.482594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.482594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.482594 (E_RNA) where: Base-Base interactions energy: -808.924 where: short stacking energy: -358.220 Base-Backbone interact. energy: 2.352 local terms energy: -393.911023 where: bonds (distance) C4'-P energy: -81.411 bonds (distance) P-C4' energy: -85.103 flat angles C4'-P-C4' energy: -81.926 flat angles P-C4'-P energy: -49.552 tors. eta vs tors. theta energy: -95.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1068.520725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.520725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.520725 (E_RNA) where: Base-Base interactions energy: -689.258 where: short stacking energy: -321.213 Base-Backbone interact. energy: -0.462 local terms energy: -378.800577 where: bonds (distance) C4'-P energy: -77.031 bonds (distance) P-C4' energy: -100.374 flat angles C4'-P-C4' energy: -79.350 flat angles P-C4'-P energy: -46.114 tors. eta vs tors. theta energy: -75.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -843.870236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.870236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.870236 (E_RNA) where: Base-Base interactions energy: -536.342 where: short stacking energy: -258.800 Base-Backbone interact. energy: -1.351 local terms energy: -306.177416 where: bonds (distance) C4'-P energy: -73.077 bonds (distance) P-C4' energy: -76.206 flat angles C4'-P-C4' energy: -69.138 flat angles P-C4'-P energy: -36.703 tors. eta vs tors. theta energy: -51.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -522.868398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -522.868398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -522.868398 (E_RNA) where: Base-Base interactions energy: -252.067 where: short stacking energy: -156.533 Base-Backbone interact. energy: 1.064 local terms energy: -271.864980 where: bonds (distance) C4'-P energy: -77.991 bonds (distance) P-C4' energy: -86.657 flat angles C4'-P-C4' energy: -57.757 flat angles P-C4'-P energy: -29.416 tors. eta vs tors. theta energy: -20.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -490.791560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.791560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.791560 (E_RNA) where: Base-Base interactions energy: -242.837 where: short stacking energy: -169.316 Base-Backbone interact. energy: -1.782 local terms energy: -246.172305 where: bonds (distance) C4'-P energy: -57.063 bonds (distance) P-C4' energy: -72.870 flat angles C4'-P-C4' energy: -59.240 flat angles P-C4'-P energy: -43.412 tors. eta vs tors. theta energy: -13.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1716.835696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.835696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.835696 (E_RNA) where: Base-Base interactions energy: -1195.351 where: short stacking energy: -505.639 Base-Backbone interact. energy: -0.570 local terms energy: -520.914476 where: bonds (distance) C4'-P energy: -84.767 bonds (distance) P-C4' energy: -98.344 flat angles C4'-P-C4' energy: -103.069 flat angles P-C4'-P energy: -79.074 tors. eta vs tors. theta energy: -155.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1637.535028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.535028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.535028 (E_RNA) where: Base-Base interactions energy: -1133.434 where: short stacking energy: -489.008 Base-Backbone interact. energy: -4.517 local terms energy: -499.584182 where: bonds (distance) C4'-P energy: -95.084 bonds (distance) P-C4' energy: -94.309 flat angles C4'-P-C4' energy: -101.773 flat angles P-C4'-P energy: -66.378 tors. eta vs tors. theta energy: -142.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1583.505682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.505682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.505682 (E_RNA) where: Base-Base interactions energy: -1087.801 where: short stacking energy: -473.854 Base-Backbone interact. energy: -1.704 local terms energy: -494.001117 where: bonds (distance) C4'-P energy: -86.297 bonds (distance) P-C4' energy: -87.440 flat angles C4'-P-C4' energy: -101.184 flat angles P-C4'-P energy: -73.305 tors. eta vs tors. theta energy: -145.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1462.152942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.152942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.152942 (E_RNA) where: Base-Base interactions energy: -1004.200 where: short stacking energy: -439.044 Base-Backbone interact. energy: -1.298 local terms energy: -456.654885 where: bonds (distance) C4'-P energy: -90.005 bonds (distance) P-C4' energy: -90.155 flat angles C4'-P-C4' energy: -86.842 flat angles P-C4'-P energy: -59.481 tors. eta vs tors. theta energy: -130.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1365.401520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.401520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.401520 (E_RNA) where: Base-Base interactions energy: -923.662 where: short stacking energy: -405.809 Base-Backbone interact. energy: 1.859 local terms energy: -443.598829 where: bonds (distance) C4'-P energy: -85.741 bonds (distance) P-C4' energy: -77.383 flat angles C4'-P-C4' energy: -98.765 flat angles P-C4'-P energy: -67.238 tors. eta vs tors. theta energy: -114.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1276.116343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.116343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.116343 (E_RNA) where: Base-Base interactions energy: -860.954 where: short stacking energy: -417.657 Base-Backbone interact. energy: 4.224 local terms energy: -419.385962 where: bonds (distance) C4'-P energy: -85.782 bonds (distance) P-C4' energy: -84.811 flat angles C4'-P-C4' energy: -87.673 flat angles P-C4'-P energy: -52.248 tors. eta vs tors. theta energy: -108.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1118.558841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.558841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.558841 (E_RNA) where: Base-Base interactions energy: -701.365 where: short stacking energy: -328.881 Base-Backbone interact. energy: 1.037 local terms energy: -418.231125 where: bonds (distance) C4'-P energy: -89.364 bonds (distance) P-C4' energy: -86.582 flat angles C4'-P-C4' energy: -88.421 flat angles P-C4'-P energy: -60.308 tors. eta vs tors. theta energy: -93.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -856.503316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.503316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.503316 (E_RNA) where: Base-Base interactions energy: -524.779 where: short stacking energy: -231.838 Base-Backbone interact. energy: -3.580 local terms energy: -328.145039 where: bonds (distance) C4'-P energy: -71.782 bonds (distance) P-C4' energy: -96.398 flat angles C4'-P-C4' energy: -78.186 flat angles P-C4'-P energy: -40.836 tors. eta vs tors. theta energy: -40.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -505.632966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.632966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.632966 (E_RNA) where: Base-Base interactions energy: -213.239 where: short stacking energy: -134.578 Base-Backbone interact. energy: 0.132 local terms energy: -292.525896 where: bonds (distance) C4'-P energy: -87.211 bonds (distance) P-C4' energy: -86.955 flat angles C4'-P-C4' energy: -88.683 flat angles P-C4'-P energy: -39.944 tors. eta vs tors. theta energy: 10.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -468.182772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.182772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.182772 (E_RNA) where: Base-Base interactions energy: -205.704 where: short stacking energy: -128.624 Base-Backbone interact. energy: -1.519 local terms energy: -260.959947 where: bonds (distance) C4'-P energy: -83.831 bonds (distance) P-C4' energy: -78.365 flat angles C4'-P-C4' energy: -54.568 flat angles P-C4'-P energy: -48.282 tors. eta vs tors. theta energy: 4.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1708.750837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.750837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.750837 (E_RNA) where: Base-Base interactions energy: -1177.315 where: short stacking energy: -509.049 Base-Backbone interact. energy: -1.543 local terms energy: -529.892351 where: bonds (distance) C4'-P energy: -94.002 bonds (distance) P-C4' energy: -91.017 flat angles C4'-P-C4' energy: -114.204 flat angles P-C4'-P energy: -69.223 tors. eta vs tors. theta energy: -161.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1652.437275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.437275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.437275 (E_RNA) where: Base-Base interactions energy: -1136.006 where: short stacking energy: -487.714 Base-Backbone interact. energy: -2.167 local terms energy: -514.264282 where: bonds (distance) C4'-P energy: -93.067 bonds (distance) P-C4' energy: -102.155 flat angles C4'-P-C4' energy: -106.455 flat angles P-C4'-P energy: -71.814 tors. eta vs tors. theta energy: -140.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1609.909032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.909032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.909032 (E_RNA) where: Base-Base interactions energy: -1120.529 where: short stacking energy: -472.272 Base-Backbone interact. energy: -2.381 local terms energy: -486.999447 where: bonds (distance) C4'-P energy: -80.615 bonds (distance) P-C4' energy: -82.836 flat angles C4'-P-C4' energy: -104.234 flat angles P-C4'-P energy: -69.127 tors. eta vs tors. theta energy: -150.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1455.189308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.189308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.189308 (E_RNA) where: Base-Base interactions energy: -998.683 where: short stacking energy: -427.653 Base-Backbone interact. energy: -0.995 local terms energy: -455.511918 where: bonds (distance) C4'-P energy: -84.653 bonds (distance) P-C4' energy: -82.603 flat angles C4'-P-C4' energy: -106.547 flat angles P-C4'-P energy: -57.099 tors. eta vs tors. theta energy: -124.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1319.264961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.264961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.264961 (E_RNA) where: Base-Base interactions energy: -902.109 where: short stacking energy: -380.610 Base-Backbone interact. energy: -3.724 local terms energy: -413.431442 where: bonds (distance) C4'-P energy: -79.362 bonds (distance) P-C4' energy: -74.902 flat angles C4'-P-C4' energy: -96.349 flat angles P-C4'-P energy: -51.267 tors. eta vs tors. theta energy: -111.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1244.100130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.100130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.100130 (E_RNA) where: Base-Base interactions energy: -803.329 where: short stacking energy: -345.993 Base-Backbone interact. energy: -0.723 local terms energy: -440.048367 where: bonds (distance) C4'-P energy: -96.122 bonds (distance) P-C4' energy: -69.596 flat angles C4'-P-C4' energy: -91.873 flat angles P-C4'-P energy: -74.764 tors. eta vs tors. theta energy: -107.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1094.426668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.426668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.426668 (E_RNA) where: Base-Base interactions energy: -689.928 where: short stacking energy: -319.032 Base-Backbone interact. energy: 1.066 local terms energy: -405.565343 where: bonds (distance) C4'-P energy: -91.696 bonds (distance) P-C4' energy: -87.208 flat angles C4'-P-C4' energy: -94.664 flat angles P-C4'-P energy: -55.942 tors. eta vs tors. theta energy: -76.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -860.437366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.437366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.437366 (E_RNA) where: Base-Base interactions energy: -521.682 where: short stacking energy: -252.113 Base-Backbone interact. energy: -2.106 local terms energy: -336.648790 where: bonds (distance) C4'-P energy: -70.141 bonds (distance) P-C4' energy: -79.809 flat angles C4'-P-C4' energy: -83.052 flat angles P-C4'-P energy: -52.068 tors. eta vs tors. theta energy: -51.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -550.416338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.416338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.416338 (E_RNA) where: Base-Base interactions energy: -297.490 where: short stacking energy: -185.482 Base-Backbone interact. energy: -0.863 local terms energy: -252.063657 where: bonds (distance) C4'-P energy: -60.940 bonds (distance) P-C4' energy: -100.681 flat angles C4'-P-C4' energy: -59.409 flat angles P-C4'-P energy: -22.316 tors. eta vs tors. theta energy: -8.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -429.319734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.319734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.319734 (E_RNA) where: Base-Base interactions energy: -171.059 where: short stacking energy: -122.070 Base-Backbone interact. energy: 4.121 local terms energy: -262.381485 where: bonds (distance) C4'-P energy: -82.801 bonds (distance) P-C4' energy: -67.695 flat angles C4'-P-C4' energy: -60.163 flat angles P-C4'-P energy: -55.249 tors. eta vs tors. theta energy: 3.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1751.138130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.138130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.138130 (E_RNA) where: Base-Base interactions energy: -1169.927 where: short stacking energy: -511.253 Base-Backbone interact. energy: -3.143 local terms energy: -578.067272 where: bonds (distance) C4'-P energy: -107.777 bonds (distance) P-C4' energy: -100.202 flat angles C4'-P-C4' energy: -117.194 flat angles P-C4'-P energy: -85.752 tors. eta vs tors. theta energy: -167.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1637.246090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.246090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.246090 (E_RNA) where: Base-Base interactions energy: -1127.799 where: short stacking energy: -494.432 Base-Backbone interact. energy: -3.701 local terms energy: -505.746317 where: bonds (distance) C4'-P energy: -97.599 bonds (distance) P-C4' energy: -100.514 flat angles C4'-P-C4' energy: -95.837 flat angles P-C4'-P energy: -74.437 tors. eta vs tors. theta energy: -137.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1598.626364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.626364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.626364 (E_RNA) where: Base-Base interactions energy: -1110.521 where: short stacking energy: -481.869 Base-Backbone interact. energy: -2.971 local terms energy: -485.134765 where: bonds (distance) C4'-P energy: -89.094 bonds (distance) P-C4' energy: -90.077 flat angles C4'-P-C4' energy: -102.734 flat angles P-C4'-P energy: -65.839 tors. eta vs tors. theta energy: -137.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1463.979550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.979550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.979550 (E_RNA) where: Base-Base interactions energy: -990.668 where: short stacking energy: -423.365 Base-Backbone interact. energy: -2.123 local terms energy: -471.188614 where: bonds (distance) C4'-P energy: -91.004 bonds (distance) P-C4' energy: -87.558 flat angles C4'-P-C4' energy: -94.902 flat angles P-C4'-P energy: -72.758 tors. eta vs tors. theta energy: -124.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1333.204967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.204967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.204967 (E_RNA) where: Base-Base interactions energy: -889.293 where: short stacking energy: -382.956 Base-Backbone interact. energy: -1.649 local terms energy: -442.263396 where: bonds (distance) C4'-P energy: -84.673 bonds (distance) P-C4' energy: -96.198 flat angles C4'-P-C4' energy: -91.444 flat angles P-C4'-P energy: -60.330 tors. eta vs tors. theta energy: -109.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1273.662175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.662175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.662175 (E_RNA) where: Base-Base interactions energy: -849.407 where: short stacking energy: -384.331 Base-Backbone interact. energy: -1.972 local terms energy: -422.283758 where: bonds (distance) C4'-P energy: -76.398 bonds (distance) P-C4' energy: -80.211 flat angles C4'-P-C4' energy: -89.969 flat angles P-C4'-P energy: -71.398 tors. eta vs tors. theta energy: -104.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1121.432321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.432321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.432321 (E_RNA) where: Base-Base interactions energy: -748.958 where: short stacking energy: -343.543 Base-Backbone interact. energy: -1.144 local terms energy: -371.331089 where: bonds (distance) C4'-P energy: -69.583 bonds (distance) P-C4' energy: -62.226 flat angles C4'-P-C4' energy: -92.357 flat angles P-C4'-P energy: -56.626 tors. eta vs tors. theta energy: -90.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -844.215576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.215576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.215576 (E_RNA) where: Base-Base interactions energy: -521.568 where: short stacking energy: -257.021 Base-Backbone interact. energy: -1.762 local terms energy: -320.884900 where: bonds (distance) C4'-P energy: -68.602 bonds (distance) P-C4' energy: -71.167 flat angles C4'-P-C4' energy: -83.672 flat angles P-C4'-P energy: -43.725 tors. eta vs tors. theta energy: -53.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -525.673305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.673305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.673305 (E_RNA) where: Base-Base interactions energy: -254.430 where: short stacking energy: -150.084 Base-Backbone interact. energy: -0.807 local terms energy: -270.436595 where: bonds (distance) C4'-P energy: -78.178 bonds (distance) P-C4' energy: -76.641 flat angles C4'-P-C4' energy: -78.322 flat angles P-C4'-P energy: -41.681 tors. eta vs tors. theta energy: 4.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -469.284127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.284127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.284127 (E_RNA) where: Base-Base interactions energy: -215.973 where: short stacking energy: -152.886 Base-Backbone interact. energy: 3.714 local terms energy: -257.025753 where: bonds (distance) C4'-P energy: -63.055 bonds (distance) P-C4' energy: -81.489 flat angles C4'-P-C4' energy: -89.290 flat angles P-C4'-P energy: -25.315 tors. eta vs tors. theta energy: 2.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1718.628179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.628179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.628179 (E_RNA) where: Base-Base interactions energy: -1174.795 where: short stacking energy: -518.343 Base-Backbone interact. energy: -1.119 local terms energy: -542.714696 where: bonds (distance) C4'-P energy: -99.653 bonds (distance) P-C4' energy: -96.570 flat angles C4'-P-C4' energy: -111.173 flat angles P-C4'-P energy: -75.976 tors. eta vs tors. theta energy: -159.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1639.866548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.866548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.866548 (E_RNA) where: Base-Base interactions energy: -1140.115 where: short stacking energy: -494.268 Base-Backbone interact. energy: -3.270 local terms energy: -496.481039 where: bonds (distance) C4'-P energy: -95.697 bonds (distance) P-C4' energy: -86.814 flat angles C4'-P-C4' energy: -103.470 flat angles P-C4'-P energy: -69.179 tors. eta vs tors. theta energy: -141.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1600.763082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.763082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.763082 (E_RNA) where: Base-Base interactions energy: -1108.420 where: short stacking energy: -478.105 Base-Backbone interact. energy: -1.726 local terms energy: -490.616918 where: bonds (distance) C4'-P energy: -84.026 bonds (distance) P-C4' energy: -98.200 flat angles C4'-P-C4' energy: -99.853 flat angles P-C4'-P energy: -70.841 tors. eta vs tors. theta energy: -137.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1482.525229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.525229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.525229 (E_RNA) where: Base-Base interactions energy: -1028.613 where: short stacking energy: -452.342 Base-Backbone interact. energy: -1.284 local terms energy: -452.628448 where: bonds (distance) C4'-P energy: -63.805 bonds (distance) P-C4' energy: -92.747 flat angles C4'-P-C4' energy: -104.031 flat angles P-C4'-P energy: -67.867 tors. eta vs tors. theta energy: -124.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1310.646194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.646194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.646194 (E_RNA) where: Base-Base interactions energy: -869.653 where: short stacking energy: -408.131 Base-Backbone interact. energy: 1.796 local terms energy: -442.788904 where: bonds (distance) C4'-P energy: -80.646 bonds (distance) P-C4' energy: -95.123 flat angles C4'-P-C4' energy: -87.793 flat angles P-C4'-P energy: -69.484 tors. eta vs tors. theta energy: -109.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1259.875179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.875179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.875179 (E_RNA) where: Base-Base interactions energy: -836.080 where: short stacking energy: -380.953 Base-Backbone interact. energy: -1.290 local terms energy: -422.505476 where: bonds (distance) C4'-P energy: -75.059 bonds (distance) P-C4' energy: -91.095 flat angles C4'-P-C4' energy: -99.818 flat angles P-C4'-P energy: -50.529 tors. eta vs tors. theta energy: -106.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1144.615494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.615494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.615494 (E_RNA) where: Base-Base interactions energy: -702.380 where: short stacking energy: -329.295 Base-Backbone interact. energy: -2.154 local terms energy: -440.080942 where: bonds (distance) C4'-P energy: -93.571 bonds (distance) P-C4' energy: -94.580 flat angles C4'-P-C4' energy: -96.003 flat angles P-C4'-P energy: -59.823 tors. eta vs tors. theta energy: -96.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -843.617604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.617604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.617604 (E_RNA) where: Base-Base interactions energy: -517.858 where: short stacking energy: -229.304 Base-Backbone interact. energy: -1.085 local terms energy: -324.674413 where: bonds (distance) C4'-P energy: -84.424 bonds (distance) P-C4' energy: -90.769 flat angles C4'-P-C4' energy: -71.366 flat angles P-C4'-P energy: -46.202 tors. eta vs tors. theta energy: -31.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -523.444618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.444618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.444618 (E_RNA) where: Base-Base interactions energy: -242.499 where: short stacking energy: -166.889 Base-Backbone interact. energy: 9.209 local terms energy: -290.154780 where: bonds (distance) C4'-P energy: -73.959 bonds (distance) P-C4' energy: -85.699 flat angles C4'-P-C4' energy: -60.742 flat angles P-C4'-P energy: -55.952 tors. eta vs tors. theta energy: -13.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -414.077237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.077237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.077237 (E_RNA) where: Base-Base interactions energy: -195.235 where: short stacking energy: -129.842 Base-Backbone interact. energy: 6.649 local terms energy: -225.491533 where: bonds (distance) C4'-P energy: -66.812 bonds (distance) P-C4' energy: -78.939 flat angles C4'-P-C4' energy: -52.144 flat angles P-C4'-P energy: -31.332 tors. eta vs tors. theta energy: 3.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1688.671417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.671417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.671417 (E_RNA) where: Base-Base interactions energy: -1161.088 where: short stacking energy: -494.793 Base-Backbone interact. energy: -0.229 local terms energy: -527.354655 where: bonds (distance) C4'-P energy: -96.669 bonds (distance) P-C4' energy: -103.039 flat angles C4'-P-C4' energy: -106.974 flat angles P-C4'-P energy: -71.462 tors. eta vs tors. theta energy: -149.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1641.499474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.499474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.499474 (E_RNA) where: Base-Base interactions energy: -1126.328 where: short stacking energy: -482.057 Base-Backbone interact. energy: -1.903 local terms energy: -513.268639 where: bonds (distance) C4'-P energy: -98.119 bonds (distance) P-C4' energy: -100.054 flat angles C4'-P-C4' energy: -102.297 flat angles P-C4'-P energy: -76.229 tors. eta vs tors. theta energy: -136.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1587.541813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.541813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.541813 (E_RNA) where: Base-Base interactions energy: -1098.052 where: short stacking energy: -474.267 Base-Backbone interact. energy: -1.461 local terms energy: -488.028769 where: bonds (distance) C4'-P energy: -89.467 bonds (distance) P-C4' energy: -79.316 flat angles C4'-P-C4' energy: -103.992 flat angles P-C4'-P energy: -77.671 tors. eta vs tors. theta energy: -137.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1485.065274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.065274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.065274 (E_RNA) where: Base-Base interactions energy: -1013.477 where: short stacking energy: -439.120 Base-Backbone interact. energy: -2.592 local terms energy: -468.996058 where: bonds (distance) C4'-P energy: -93.666 bonds (distance) P-C4' energy: -94.236 flat angles C4'-P-C4' energy: -91.700 flat angles P-C4'-P energy: -58.500 tors. eta vs tors. theta energy: -130.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1317.463038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.463038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.463038 (E_RNA) where: Base-Base interactions energy: -874.317 where: short stacking energy: -412.736 Base-Backbone interact. energy: -4.849 local terms energy: -438.296219 where: bonds (distance) C4'-P energy: -89.357 bonds (distance) P-C4' energy: -69.555 flat angles C4'-P-C4' energy: -99.298 flat angles P-C4'-P energy: -61.711 tors. eta vs tors. theta energy: -118.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1240.928669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.928669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.928669 (E_RNA) where: Base-Base interactions energy: -819.509 where: short stacking energy: -354.359 Base-Backbone interact. energy: -0.655 local terms energy: -420.764613 where: bonds (distance) C4'-P energy: -87.262 bonds (distance) P-C4' energy: -95.726 flat angles C4'-P-C4' energy: -81.729 flat angles P-C4'-P energy: -60.847 tors. eta vs tors. theta energy: -95.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1135.710615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.710615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.710615 (E_RNA) where: Base-Base interactions energy: -730.915 where: short stacking energy: -343.077 Base-Backbone interact. energy: -1.332 local terms energy: -403.462957 where: bonds (distance) C4'-P energy: -85.491 bonds (distance) P-C4' energy: -91.058 flat angles C4'-P-C4' energy: -77.743 flat angles P-C4'-P energy: -52.563 tors. eta vs tors. theta energy: -96.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -842.079917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.079917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.079917 (E_RNA) where: Base-Base interactions energy: -505.852 where: short stacking energy: -267.015 Base-Backbone interact. energy: -0.356 local terms energy: -335.871656 where: bonds (distance) C4'-P energy: -84.674 bonds (distance) P-C4' energy: -86.383 flat angles C4'-P-C4' energy: -82.231 flat angles P-C4'-P energy: -44.574 tors. eta vs tors. theta energy: -38.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -539.794026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.794026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.794026 (E_RNA) where: Base-Base interactions energy: -264.560 where: short stacking energy: -158.517 Base-Backbone interact. energy: -0.428 local terms energy: -274.805299 where: bonds (distance) C4'-P energy: -76.465 bonds (distance) P-C4' energy: -86.526 flat angles C4'-P-C4' energy: -64.811 flat angles P-C4'-P energy: -47.282 tors. eta vs tors. theta energy: 0.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -466.923043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.923043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.923043 (E_RNA) where: Base-Base interactions energy: -233.229 where: short stacking energy: -142.591 Base-Backbone interact. energy: 5.165 local terms energy: -238.858472 where: bonds (distance) C4'-P energy: -75.711 bonds (distance) P-C4' energy: -68.484 flat angles C4'-P-C4' energy: -55.194 flat angles P-C4'-P energy: -49.235 tors. eta vs tors. theta energy: 9.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1716.889433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.889433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.889433 (E_RNA) where: Base-Base interactions energy: -1189.175 where: short stacking energy: -508.539 Base-Backbone interact. energy: 0.942 local terms energy: -528.656332 where: bonds (distance) C4'-P energy: -91.394 bonds (distance) P-C4' energy: -101.341 flat angles C4'-P-C4' energy: -100.854 flat angles P-C4'-P energy: -74.520 tors. eta vs tors. theta energy: -160.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1611.428771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.428771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.428771 (E_RNA) where: Base-Base interactions energy: -1114.765 where: short stacking energy: -471.677 Base-Backbone interact. energy: 4.288 local terms energy: -500.951492 where: bonds (distance) C4'-P energy: -80.554 bonds (distance) P-C4' energy: -98.532 flat angles C4'-P-C4' energy: -109.551 flat angles P-C4'-P energy: -66.902 tors. eta vs tors. theta energy: -145.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1601.417445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.417445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.417445 (E_RNA) where: Base-Base interactions energy: -1083.401 where: short stacking energy: -470.859 Base-Backbone interact. energy: 1.004 local terms energy: -519.021044 where: bonds (distance) C4'-P energy: -89.858 bonds (distance) P-C4' energy: -100.098 flat angles C4'-P-C4' energy: -98.753 flat angles P-C4'-P energy: -83.167 tors. eta vs tors. theta energy: -147.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1476.825847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.825847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.825847 (E_RNA) where: Base-Base interactions energy: -1012.296 where: short stacking energy: -450.275 Base-Backbone interact. energy: -1.231 local terms energy: -463.298922 where: bonds (distance) C4'-P energy: -89.299 bonds (distance) P-C4' energy: -86.995 flat angles C4'-P-C4' energy: -96.045 flat angles P-C4'-P energy: -66.027 tors. eta vs tors. theta energy: -124.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1316.581360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.581360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.581360 (E_RNA) where: Base-Base interactions energy: -873.080 where: short stacking energy: -399.295 Base-Backbone interact. energy: -5.419 local terms energy: -438.083123 where: bonds (distance) C4'-P energy: -92.508 bonds (distance) P-C4' energy: -83.601 flat angles C4'-P-C4' energy: -83.496 flat angles P-C4'-P energy: -58.887 tors. eta vs tors. theta energy: -119.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1204.369588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.369588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.369588 (E_RNA) where: Base-Base interactions energy: -836.047 where: short stacking energy: -367.365 Base-Backbone interact. energy: -1.034 local terms energy: -367.289156 where: bonds (distance) C4'-P energy: -59.179 bonds (distance) P-C4' energy: -78.192 flat angles C4'-P-C4' energy: -88.658 flat angles P-C4'-P energy: -60.306 tors. eta vs tors. theta energy: -80.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1165.651500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.651500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.651500 (E_RNA) where: Base-Base interactions energy: -767.479 where: short stacking energy: -348.621 Base-Backbone interact. energy: 1.660 local terms energy: -399.832102 where: bonds (distance) C4'-P energy: -74.914 bonds (distance) P-C4' energy: -81.772 flat angles C4'-P-C4' energy: -73.852 flat angles P-C4'-P energy: -70.411 tors. eta vs tors. theta energy: -98.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -886.141206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.141206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.141206 (E_RNA) where: Base-Base interactions energy: -569.125 where: short stacking energy: -292.920 Base-Backbone interact. energy: -0.901 local terms energy: -316.114789 where: bonds (distance) C4'-P energy: -61.511 bonds (distance) P-C4' energy: -74.679 flat angles C4'-P-C4' energy: -77.434 flat angles P-C4'-P energy: -32.556 tors. eta vs tors. theta energy: -69.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -519.777141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.777141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.777141 (E_RNA) where: Base-Base interactions energy: -274.642 where: short stacking energy: -159.207 Base-Backbone interact. energy: 1.807 local terms energy: -246.941750 where: bonds (distance) C4'-P energy: -57.643 bonds (distance) P-C4' energy: -90.881 flat angles C4'-P-C4' energy: -49.337 flat angles P-C4'-P energy: -43.176 tors. eta vs tors. theta energy: -5.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -482.595806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.595806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.595806 (E_RNA) where: Base-Base interactions energy: -196.126 where: short stacking energy: -126.066 Base-Backbone interact. energy: -1.218 local terms energy: -285.251905 where: bonds (distance) C4'-P energy: -88.505 bonds (distance) P-C4' energy: -89.871 flat angles C4'-P-C4' energy: -70.869 flat angles P-C4'-P energy: -38.614 tors. eta vs tors. theta energy: 2.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1727.356281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.356281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.356281 (E_RNA) where: Base-Base interactions energy: -1189.819 where: short stacking energy: -534.159 Base-Backbone interact. energy: -2.496 local terms energy: -535.041533 where: bonds (distance) C4'-P energy: -91.649 bonds (distance) P-C4' energy: -102.471 flat angles C4'-P-C4' energy: -107.930 flat angles P-C4'-P energy: -71.109 tors. eta vs tors. theta energy: -161.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1632.208983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.208983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.208983 (E_RNA) where: Base-Base interactions energy: -1129.659 where: short stacking energy: -491.464 Base-Backbone interact. energy: -1.861 local terms energy: -500.689002 where: bonds (distance) C4'-P energy: -90.874 bonds (distance) P-C4' energy: -84.086 flat angles C4'-P-C4' energy: -106.550 flat angles P-C4'-P energy: -70.398 tors. eta vs tors. theta energy: -148.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1585.601885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.601885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.601885 (E_RNA) where: Base-Base interactions energy: -1100.082 where: short stacking energy: -473.906 Base-Backbone interact. energy: -0.338 local terms energy: -485.181446 where: bonds (distance) C4'-P energy: -95.216 bonds (distance) P-C4' energy: -93.177 flat angles C4'-P-C4' energy: -103.354 flat angles P-C4'-P energy: -58.709 tors. eta vs tors. theta energy: -134.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1473.959872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.959872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.959872 (E_RNA) where: Base-Base interactions energy: -1019.691 where: short stacking energy: -445.893 Base-Backbone interact. energy: -1.598 local terms energy: -452.670459 where: bonds (distance) C4'-P energy: -71.306 bonds (distance) P-C4' energy: -90.673 flat angles C4'-P-C4' energy: -101.272 flat angles P-C4'-P energy: -66.989 tors. eta vs tors. theta energy: -122.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -1310.207920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.207920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.207920 (E_RNA) where: Base-Base interactions energy: -859.396 where: short stacking energy: -386.159 Base-Backbone interact. energy: -1.513 local terms energy: -449.298483 where: bonds (distance) C4'-P energy: -79.125 bonds (distance) P-C4' energy: -91.442 flat angles C4'-P-C4' energy: -99.750 flat angles P-C4'-P energy: -61.481 tors. eta vs tors. theta energy: -117.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1228.479784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.479784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.479784 (E_RNA) where: Base-Base interactions energy: -825.617 where: short stacking energy: -365.991 Base-Backbone interact. energy: -1.248 local terms energy: -401.614735 where: bonds (distance) C4'-P energy: -87.331 bonds (distance) P-C4' energy: -78.901 flat angles C4'-P-C4' energy: -87.528 flat angles P-C4'-P energy: -54.470 tors. eta vs tors. theta energy: -93.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1142.141460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.141460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.141460 (E_RNA) where: Base-Base interactions energy: -755.442 where: short stacking energy: -360.405 Base-Backbone interact. energy: 2.337 local terms energy: -389.036400 where: bonds (distance) C4'-P energy: -76.944 bonds (distance) P-C4' energy: -73.629 flat angles C4'-P-C4' energy: -92.605 flat angles P-C4'-P energy: -58.232 tors. eta vs tors. theta energy: -87.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -853.381585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.381585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.381585 (E_RNA) where: Base-Base interactions energy: -515.101 where: short stacking energy: -258.016 Base-Backbone interact. energy: -1.146 local terms energy: -337.134463 where: bonds (distance) C4'-P energy: -79.623 bonds (distance) P-C4' energy: -67.245 flat angles C4'-P-C4' energy: -79.580 flat angles P-C4'-P energy: -58.863 tors. eta vs tors. theta energy: -51.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -517.011643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.011643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.011643 (E_RNA) where: Base-Base interactions energy: -244.606 where: short stacking energy: -151.486 Base-Backbone interact. energy: 1.582 local terms energy: -273.988135 where: bonds (distance) C4'-P energy: -82.414 bonds (distance) P-C4' energy: -77.737 flat angles C4'-P-C4' energy: -80.028 flat angles P-C4'-P energy: -50.667 tors. eta vs tors. theta energy: 16.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -446.915033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.915033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.915033 (E_RNA) where: Base-Base interactions energy: -213.458 where: short stacking energy: -129.701 Base-Backbone interact. energy: -4.163 local terms energy: -229.293836 where: bonds (distance) C4'-P energy: -88.106 bonds (distance) P-C4' energy: -82.951 flat angles C4'-P-C4' energy: -46.745 flat angles P-C4'-P energy: -35.785 tors. eta vs tors. theta energy: 24.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1688.708540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.708540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.708540 (E_RNA) where: Base-Base interactions energy: -1164.864 where: short stacking energy: -523.607 Base-Backbone interact. energy: -2.244 local terms energy: -521.599778 where: bonds (distance) C4'-P energy: -92.442 bonds (distance) P-C4' energy: -88.445 flat angles C4'-P-C4' energy: -101.298 flat angles P-C4'-P energy: -77.679 tors. eta vs tors. theta energy: -161.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1654.942228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.942228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.942228 (E_RNA) where: Base-Base interactions energy: -1135.397 where: short stacking energy: -486.596 Base-Backbone interact. energy: -2.366 local terms energy: -517.179600 where: bonds (distance) C4'-P energy: -93.744 bonds (distance) P-C4' energy: -83.770 flat angles C4'-P-C4' energy: -110.604 flat angles P-C4'-P energy: -77.505 tors. eta vs tors. theta energy: -151.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1582.552961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.552961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.552961 (E_RNA) where: Base-Base interactions energy: -1079.692 where: short stacking energy: -463.416 Base-Backbone interact. energy: -4.703 local terms energy: -498.157133 where: bonds (distance) C4'-P energy: -90.886 bonds (distance) P-C4' energy: -100.686 flat angles C4'-P-C4' energy: -91.267 flat angles P-C4'-P energy: -74.422 tors. eta vs tors. theta energy: -140.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1479.930776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.930776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.930776 (E_RNA) where: Base-Base interactions energy: -1002.587 where: short stacking energy: -448.131 Base-Backbone interact. energy: -2.553 local terms energy: -474.790461 where: bonds (distance) C4'-P energy: -94.928 bonds (distance) P-C4' energy: -91.813 flat angles C4'-P-C4' energy: -94.700 flat angles P-C4'-P energy: -57.178 tors. eta vs tors. theta energy: -136.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1273.928339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.928339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.928339 (E_RNA) where: Base-Base interactions energy: -861.655 where: short stacking energy: -378.049 Base-Backbone interact. energy: 0.848 local terms energy: -413.121755 where: bonds (distance) C4'-P energy: -78.396 bonds (distance) P-C4' energy: -82.230 flat angles C4'-P-C4' energy: -97.214 flat angles P-C4'-P energy: -64.750 tors. eta vs tors. theta energy: -90.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1285.663300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.663300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.663300 (E_RNA) where: Base-Base interactions energy: -850.942 where: short stacking energy: -374.724 Base-Backbone interact. energy: -0.088 local terms energy: -434.633976 where: bonds (distance) C4'-P energy: -92.940 bonds (distance) P-C4' energy: -67.044 flat angles C4'-P-C4' energy: -101.160 flat angles P-C4'-P energy: -64.072 tors. eta vs tors. theta energy: -109.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1141.220893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.220893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.220893 (E_RNA) where: Base-Base interactions energy: -742.791 where: short stacking energy: -344.680 Base-Backbone interact. energy: -0.652 local terms energy: -397.777870 where: bonds (distance) C4'-P energy: -78.908 bonds (distance) P-C4' energy: -73.614 flat angles C4'-P-C4' energy: -89.042 flat angles P-C4'-P energy: -60.186 tors. eta vs tors. theta energy: -96.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -830.149459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.149459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.149459 (E_RNA) where: Base-Base interactions energy: -534.292 where: short stacking energy: -246.378 Base-Backbone interact. energy: 5.264 local terms energy: -301.121443 where: bonds (distance) C4'-P energy: -74.782 bonds (distance) P-C4' energy: -77.436 flat angles C4'-P-C4' energy: -76.130 flat angles P-C4'-P energy: -44.307 tors. eta vs tors. theta energy: -28.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -528.498767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.498767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.498767 (E_RNA) where: Base-Base interactions energy: -246.204 where: short stacking energy: -154.895 Base-Backbone interact. energy: 2.284 local terms energy: -284.578507 where: bonds (distance) C4'-P energy: -63.342 bonds (distance) P-C4' energy: -82.478 flat angles C4'-P-C4' energy: -83.169 flat angles P-C4'-P energy: -48.965 tors. eta vs tors. theta energy: -6.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -478.739462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.739462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.739462 (E_RNA) where: Base-Base interactions energy: -204.693 where: short stacking energy: -139.237 Base-Backbone interact. energy: 0.438 local terms energy: -274.484830 where: bonds (distance) C4'-P energy: -75.304 bonds (distance) P-C4' energy: -68.101 flat angles C4'-P-C4' energy: -73.945 flat angles P-C4'-P energy: -53.634 tors. eta vs tors. theta energy: -3.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1712.035353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.035353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.035353 (E_RNA) where: Base-Base interactions energy: -1169.588 where: short stacking energy: -521.930 Base-Backbone interact. energy: -0.301 local terms energy: -542.146239 where: bonds (distance) C4'-P energy: -98.902 bonds (distance) P-C4' energy: -99.111 flat angles C4'-P-C4' energy: -106.656 flat angles P-C4'-P energy: -78.041 tors. eta vs tors. theta energy: -159.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1628.057313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.057313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.057313 (E_RNA) where: Base-Base interactions energy: -1114.429 where: short stacking energy: -486.353 Base-Backbone interact. energy: -1.648 local terms energy: -511.979839 where: bonds (distance) C4'-P energy: -95.001 bonds (distance) P-C4' energy: -99.301 flat angles C4'-P-C4' energy: -98.462 flat angles P-C4'-P energy: -77.921 tors. eta vs tors. theta energy: -141.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1578.336550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.336550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.336550 (E_RNA) where: Base-Base interactions energy: -1101.096 where: short stacking energy: -465.427 Base-Backbone interact. energy: -1.660 local terms energy: -475.580441 where: bonds (distance) C4'-P energy: -79.423 bonds (distance) P-C4' energy: -99.546 flat angles C4'-P-C4' energy: -96.787 flat angles P-C4'-P energy: -58.557 tors. eta vs tors. theta energy: -141.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1473.400095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.400095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.400095 (E_RNA) where: Base-Base interactions energy: -1012.499 where: short stacking energy: -449.656 Base-Backbone interact. energy: 0.131 local terms energy: -461.031952 where: bonds (distance) C4'-P energy: -79.724 bonds (distance) P-C4' energy: -94.089 flat angles C4'-P-C4' energy: -95.876 flat angles P-C4'-P energy: -63.193 tors. eta vs tors. theta energy: -128.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1223.900921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.900921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.900921 (E_RNA) where: Base-Base interactions energy: -825.054 where: short stacking energy: -351.188 Base-Backbone interact. energy: 1.368 local terms energy: -400.214683 where: bonds (distance) C4'-P energy: -70.125 bonds (distance) P-C4' energy: -72.890 flat angles C4'-P-C4' energy: -101.422 flat angles P-C4'-P energy: -52.495 tors. eta vs tors. theta energy: -103.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1321.339546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.339546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.339546 (E_RNA) where: Base-Base interactions energy: -877.558 where: short stacking energy: -374.972 Base-Backbone interact. energy: -1.140 local terms energy: -442.641359 where: bonds (distance) C4'-P energy: -80.264 bonds (distance) P-C4' energy: -91.787 flat angles C4'-P-C4' energy: -98.503 flat angles P-C4'-P energy: -66.853 tors. eta vs tors. theta energy: -105.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1121.456108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.456108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.456108 (E_RNA) where: Base-Base interactions energy: -737.600 where: short stacking energy: -318.025 Base-Backbone interact. energy: -3.399 local terms energy: -380.456643 where: bonds (distance) C4'-P energy: -76.530 bonds (distance) P-C4' energy: -82.312 flat angles C4'-P-C4' energy: -80.039 flat angles P-C4'-P energy: -62.096 tors. eta vs tors. theta energy: -79.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -901.221204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.221204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.221204 (E_RNA) where: Base-Base interactions energy: -538.813 where: short stacking energy: -292.804 Base-Backbone interact. energy: -2.326 local terms energy: -360.082320 where: bonds (distance) C4'-P energy: -80.728 bonds (distance) P-C4' energy: -83.503 flat angles C4'-P-C4' energy: -90.720 flat angles P-C4'-P energy: -47.537 tors. eta vs tors. theta energy: -57.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -549.498927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.498927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.498927 (E_RNA) where: Base-Base interactions energy: -261.746 where: short stacking energy: -163.628 Base-Backbone interact. energy: 0.415 local terms energy: -288.168180 where: bonds (distance) C4'-P energy: -78.114 bonds (distance) P-C4' energy: -85.942 flat angles C4'-P-C4' energy: -67.200 flat angles P-C4'-P energy: -48.035 tors. eta vs tors. theta energy: -8.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -451.986442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.986442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.986442 (E_RNA) where: Base-Base interactions energy: -213.468 where: short stacking energy: -137.672 Base-Backbone interact. energy: 0.354 local terms energy: -238.872657 where: bonds (distance) C4'-P energy: -70.963 bonds (distance) P-C4' energy: -80.179 flat angles C4'-P-C4' energy: -58.324 flat angles P-C4'-P energy: -31.411 tors. eta vs tors. theta energy: 2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1713.986833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.986833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.986833 (E_RNA) where: Base-Base interactions energy: -1174.510 where: short stacking energy: -516.457 Base-Backbone interact. energy: -0.234 local terms energy: -539.242853 where: bonds (distance) C4'-P energy: -92.554 bonds (distance) P-C4' energy: -100.363 flat angles C4'-P-C4' energy: -112.175 flat angles P-C4'-P energy: -74.851 tors. eta vs tors. theta energy: -159.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1613.292056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.292056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.292056 (E_RNA) where: Base-Base interactions energy: -1123.021 where: short stacking energy: -482.887 Base-Backbone interact. energy: -2.163 local terms energy: -488.108641 where: bonds (distance) C4'-P energy: -87.913 bonds (distance) P-C4' energy: -95.815 flat angles C4'-P-C4' energy: -97.283 flat angles P-C4'-P energy: -66.346 tors. eta vs tors. theta energy: -140.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1584.889256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.889256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.889256 (E_RNA) where: Base-Base interactions energy: -1107.093 where: short stacking energy: -483.272 Base-Backbone interact. energy: -4.092 local terms energy: -473.703961 where: bonds (distance) C4'-P energy: -69.895 bonds (distance) P-C4' energy: -93.152 flat angles C4'-P-C4' energy: -99.923 flat angles P-C4'-P energy: -62.046 tors. eta vs tors. theta energy: -148.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1491.592659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.592659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.592659 (E_RNA) where: Base-Base interactions energy: -1017.004 where: short stacking energy: -437.923 Base-Backbone interact. energy: -0.477 local terms energy: -474.111626 where: bonds (distance) C4'-P energy: -90.197 bonds (distance) P-C4' energy: -86.542 flat angles C4'-P-C4' energy: -101.618 flat angles P-C4'-P energy: -70.031 tors. eta vs tors. theta energy: -125.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1359.673636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.673636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.673636 (E_RNA) where: Base-Base interactions energy: -917.306 where: short stacking energy: -415.231 Base-Backbone interact. energy: -1.516 local terms energy: -440.851695 where: bonds (distance) C4'-P energy: -81.218 bonds (distance) P-C4' energy: -91.031 flat angles C4'-P-C4' energy: -90.006 flat angles P-C4'-P energy: -66.823 tors. eta vs tors. theta energy: -111.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1208.889885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.889885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.889885 (E_RNA) where: Base-Base interactions energy: -817.092 where: short stacking energy: -354.047 Base-Backbone interact. energy: -1.071 local terms energy: -390.726632 where: bonds (distance) C4'-P energy: -78.809 bonds (distance) P-C4' energy: -81.605 flat angles C4'-P-C4' energy: -96.402 flat angles P-C4'-P energy: -40.797 tors. eta vs tors. theta energy: -93.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -1146.939145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.939145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.939145 (E_RNA) where: Base-Base interactions energy: -769.038 where: short stacking energy: -356.263 Base-Backbone interact. energy: -1.144 local terms energy: -376.757859 where: bonds (distance) C4'-P energy: -55.267 bonds (distance) P-C4' energy: -91.917 flat angles C4'-P-C4' energy: -93.390 flat angles P-C4'-P energy: -37.092 tors. eta vs tors. theta energy: -99.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -790.303487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.303487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.303487 (E_RNA) where: Base-Base interactions energy: -488.785 where: short stacking energy: -214.072 Base-Backbone interact. energy: -2.221 local terms energy: -299.297167 where: bonds (distance) C4'-P energy: -77.870 bonds (distance) P-C4' energy: -64.068 flat angles C4'-P-C4' energy: -74.981 flat angles P-C4'-P energy: -48.776 tors. eta vs tors. theta energy: -33.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -528.187238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.187238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.187238 (E_RNA) where: Base-Base interactions energy: -249.362 where: short stacking energy: -142.380 Base-Backbone interact. energy: 1.126 local terms energy: -279.951592 where: bonds (distance) C4'-P energy: -74.209 bonds (distance) P-C4' energy: -87.172 flat angles C4'-P-C4' energy: -67.890 flat angles P-C4'-P energy: -45.286 tors. eta vs tors. theta energy: -5.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -524.979346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.979346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.979346 (E_RNA) where: Base-Base interactions energy: -258.954 where: short stacking energy: -170.531 Base-Backbone interact. energy: -1.107 local terms energy: -264.918366 where: bonds (distance) C4'-P energy: -75.858 bonds (distance) P-C4' energy: -73.341 flat angles C4'-P-C4' energy: -74.420 flat angles P-C4'-P energy: -42.632 tors. eta vs tors. theta energy: 1.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1735.788008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.788008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.788008 (E_RNA) where: Base-Base interactions energy: -1189.095 where: short stacking energy: -514.995 Base-Backbone interact. energy: -0.415 local terms energy: -546.277365 where: bonds (distance) C4'-P energy: -97.370 bonds (distance) P-C4' energy: -103.566 flat angles C4'-P-C4' energy: -110.981 flat angles P-C4'-P energy: -75.303 tors. eta vs tors. theta energy: -159.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1633.724214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.724214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.724214 (E_RNA) where: Base-Base interactions energy: -1142.627 where: short stacking energy: -485.040 Base-Backbone interact. energy: 0.417 local terms energy: -491.513357 where: bonds (distance) C4'-P energy: -85.312 bonds (distance) P-C4' energy: -88.341 flat angles C4'-P-C4' energy: -100.900 flat angles P-C4'-P energy: -75.912 tors. eta vs tors. theta energy: -141.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1577.277635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.277635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.277635 (E_RNA) where: Base-Base interactions energy: -1096.944 where: short stacking energy: -469.577 Base-Backbone interact. energy: -2.369 local terms energy: -477.965365 where: bonds (distance) C4'-P energy: -73.559 bonds (distance) P-C4' energy: -90.165 flat angles C4'-P-C4' energy: -101.617 flat angles P-C4'-P energy: -65.878 tors. eta vs tors. theta energy: -146.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1484.108956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.108956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.108956 (E_RNA) where: Base-Base interactions energy: -1014.778 where: short stacking energy: -443.945 Base-Backbone interact. energy: -0.095 local terms energy: -469.235739 where: bonds (distance) C4'-P energy: -75.420 bonds (distance) P-C4' energy: -93.812 flat angles C4'-P-C4' energy: -100.856 flat angles P-C4'-P energy: -66.563 tors. eta vs tors. theta energy: -132.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1377.387437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.387437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.387437 (E_RNA) where: Base-Base interactions energy: -936.716 where: short stacking energy: -422.835 Base-Backbone interact. energy: -0.913 local terms energy: -439.759225 where: bonds (distance) C4'-P energy: -71.098 bonds (distance) P-C4' energy: -84.051 flat angles C4'-P-C4' energy: -97.218 flat angles P-C4'-P energy: -66.673 tors. eta vs tors. theta energy: -120.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1177.708507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.708507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.708507 (E_RNA) where: Base-Base interactions energy: -769.049 where: short stacking energy: -352.316 Base-Backbone interact. energy: 0.128 local terms energy: -408.786910 where: bonds (distance) C4'-P energy: -80.290 bonds (distance) P-C4' energy: -91.850 flat angles C4'-P-C4' energy: -91.193 flat angles P-C4'-P energy: -59.138 tors. eta vs tors. theta energy: -86.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1115.816464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.816464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.816464 (E_RNA) where: Base-Base interactions energy: -733.297 where: short stacking energy: -315.703 Base-Backbone interact. energy: -2.038 local terms energy: -380.481477 where: bonds (distance) C4'-P energy: -79.745 bonds (distance) P-C4' energy: -86.998 flat angles C4'-P-C4' energy: -79.090 flat angles P-C4'-P energy: -51.325 tors. eta vs tors. theta energy: -83.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -799.933795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.933795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.933795 (E_RNA) where: Base-Base interactions energy: -492.451 where: short stacking energy: -232.485 Base-Backbone interact. energy: 1.327 local terms energy: -308.809799 where: bonds (distance) C4'-P energy: -61.084 bonds (distance) P-C4' energy: -76.326 flat angles C4'-P-C4' energy: -79.377 flat angles P-C4'-P energy: -48.090 tors. eta vs tors. theta energy: -43.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -526.513469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.513469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.513469 (E_RNA) where: Base-Base interactions energy: -240.482 where: short stacking energy: -170.488 Base-Backbone interact. energy: -2.100 local terms energy: -283.931695 where: bonds (distance) C4'-P energy: -82.644 bonds (distance) P-C4' energy: -75.270 flat angles C4'-P-C4' energy: -66.831 flat angles P-C4'-P energy: -36.674 tors. eta vs tors. theta energy: -22.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -528.761674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.761674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.761674 (E_RNA) where: Base-Base interactions energy: -277.776 where: short stacking energy: -156.174 Base-Backbone interact. energy: 2.450 local terms energy: -253.435586 where: bonds (distance) C4'-P energy: -61.979 bonds (distance) P-C4' energy: -74.867 flat angles C4'-P-C4' energy: -79.531 flat angles P-C4'-P energy: -37.787 tors. eta vs tors. theta energy: 0.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1719.529241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.529241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.529241 (E_RNA) where: Base-Base interactions energy: -1186.255 where: short stacking energy: -515.172 Base-Backbone interact. energy: -1.615 local terms energy: -531.659742 where: bonds (distance) C4'-P energy: -101.804 bonds (distance) P-C4' energy: -94.857 flat angles C4'-P-C4' energy: -104.949 flat angles P-C4'-P energy: -66.767 tors. eta vs tors. theta energy: -163.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1616.973755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.973755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.973755 (E_RNA) where: Base-Base interactions energy: -1108.276 where: short stacking energy: -471.710 Base-Backbone interact. energy: -3.646 local terms energy: -505.051575 where: bonds (distance) C4'-P energy: -81.525 bonds (distance) P-C4' energy: -104.805 flat angles C4'-P-C4' energy: -108.347 flat angles P-C4'-P energy: -72.836 tors. eta vs tors. theta energy: -137.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1528.086312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.086312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.086312 (E_RNA) where: Base-Base interactions energy: -1034.522 where: short stacking energy: -469.085 Base-Backbone interact. energy: -3.067 local terms energy: -490.497115 where: bonds (distance) C4'-P energy: -93.946 bonds (distance) P-C4' energy: -87.564 flat angles C4'-P-C4' energy: -108.720 flat angles P-C4'-P energy: -62.928 tors. eta vs tors. theta energy: -137.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1518.611921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.611921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.611921 (E_RNA) where: Base-Base interactions energy: -1050.476 where: short stacking energy: -455.263 Base-Backbone interact. energy: -0.424 local terms energy: -467.711230 where: bonds (distance) C4'-P energy: -80.670 bonds (distance) P-C4' energy: -83.945 flat angles C4'-P-C4' energy: -95.989 flat angles P-C4'-P energy: -66.467 tors. eta vs tors. theta energy: -140.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -1338.633770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.633770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.633770 (E_RNA) where: Base-Base interactions energy: -884.672 where: short stacking energy: -389.768 Base-Backbone interact. energy: -0.098 local terms energy: -453.864397 where: bonds (distance) C4'-P energy: -76.743 bonds (distance) P-C4' energy: -91.334 flat angles C4'-P-C4' energy: -104.477 flat angles P-C4'-P energy: -70.316 tors. eta vs tors. theta energy: -110.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -1254.295428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.295428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.295428 (E_RNA) where: Base-Base interactions energy: -851.911 where: short stacking energy: -389.945 Base-Backbone interact. energy: -0.181 local terms energy: -402.203351 where: bonds (distance) C4'-P energy: -77.592 bonds (distance) P-C4' energy: -73.644 flat angles C4'-P-C4' energy: -88.390 flat angles P-C4'-P energy: -60.562 tors. eta vs tors. theta energy: -102.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1118.185869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.185869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.185869 (E_RNA) where: Base-Base interactions energy: -728.234 where: short stacking energy: -344.375 Base-Backbone interact. energy: -2.191 local terms energy: -387.761482 where: bonds (distance) C4'-P energy: -78.580 bonds (distance) P-C4' energy: -84.918 flat angles C4'-P-C4' energy: -79.341 flat angles P-C4'-P energy: -56.986 tors. eta vs tors. theta energy: -87.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -831.006032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.006032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.006032 (E_RNA) where: Base-Base interactions energy: -518.707 where: short stacking energy: -255.287 Base-Backbone interact. energy: -2.253 local terms energy: -310.046102 where: bonds (distance) C4'-P energy: -73.829 bonds (distance) P-C4' energy: -79.949 flat angles C4'-P-C4' energy: -74.597 flat angles P-C4'-P energy: -47.324 tors. eta vs tors. theta energy: -34.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -565.905179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.905179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.905179 (E_RNA) where: Base-Base interactions energy: -285.185 where: short stacking energy: -151.350 Base-Backbone interact. energy: 6.115 local terms energy: -286.835339 where: bonds (distance) C4'-P energy: -83.521 bonds (distance) P-C4' energy: -85.961 flat angles C4'-P-C4' energy: -71.633 flat angles P-C4'-P energy: -46.729 tors. eta vs tors. theta energy: 1.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -475.526693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.526693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.526693 (E_RNA) where: Base-Base interactions energy: -223.676 where: short stacking energy: -139.581 Base-Backbone interact. energy: -0.098 local terms energy: -251.753034 where: bonds (distance) C4'-P energy: -68.474 bonds (distance) P-C4' energy: -74.560 flat angles C4'-P-C4' energy: -74.346 flat angles P-C4'-P energy: -39.257 tors. eta vs tors. theta energy: 4.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1735.978398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.978398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.978398 (E_RNA) where: Base-Base interactions energy: -1177.348 where: short stacking energy: -526.072 Base-Backbone interact. energy: -2.716 local terms energy: -555.914201 where: bonds (distance) C4'-P energy: -97.192 bonds (distance) P-C4' energy: -98.384 flat angles C4'-P-C4' energy: -115.788 flat angles P-C4'-P energy: -82.162 tors. eta vs tors. theta energy: -162.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1643.569473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.569473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.569473 (E_RNA) where: Base-Base interactions energy: -1140.810 where: short stacking energy: -507.115 Base-Backbone interact. energy: 0.704 local terms energy: -503.463601 where: bonds (distance) C4'-P energy: -96.980 bonds (distance) P-C4' energy: -90.371 flat angles C4'-P-C4' energy: -105.322 flat angles P-C4'-P energy: -74.208 tors. eta vs tors. theta energy: -136.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1506.762296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.762296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.762296 (E_RNA) where: Base-Base interactions energy: -1015.160 where: short stacking energy: -448.830 Base-Backbone interact. energy: 0.329 local terms energy: -491.931398 where: bonds (distance) C4'-P energy: -93.715 bonds (distance) P-C4' energy: -97.069 flat angles C4'-P-C4' energy: -101.940 flat angles P-C4'-P energy: -70.716 tors. eta vs tors. theta energy: -128.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1486.139814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.139814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.139814 (E_RNA) where: Base-Base interactions energy: -1047.110 where: short stacking energy: -430.713 Base-Backbone interact. energy: -2.595 local terms energy: -436.435522 where: bonds (distance) C4'-P energy: -64.943 bonds (distance) P-C4' energy: -88.659 flat angles C4'-P-C4' energy: -100.352 flat angles P-C4'-P energy: -62.708 tors. eta vs tors. theta energy: -119.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1344.929955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.929955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.929955 (E_RNA) where: Base-Base interactions energy: -914.199 where: short stacking energy: -409.478 Base-Backbone interact. energy: -3.099 local terms energy: -427.631960 where: bonds (distance) C4'-P energy: -78.743 bonds (distance) P-C4' energy: -78.337 flat angles C4'-P-C4' energy: -95.931 flat angles P-C4'-P energy: -56.962 tors. eta vs tors. theta energy: -117.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1247.560824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.560824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.560824 (E_RNA) where: Base-Base interactions energy: -813.406 where: short stacking energy: -369.089 Base-Backbone interact. energy: -1.567 local terms energy: -432.587430 where: bonds (distance) C4'-P energy: -88.700 bonds (distance) P-C4' energy: -83.035 flat angles C4'-P-C4' energy: -99.756 flat angles P-C4'-P energy: -60.182 tors. eta vs tors. theta energy: -100.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1092.598436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.598436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.598436 (E_RNA) where: Base-Base interactions energy: -714.148 where: short stacking energy: -312.449 Base-Backbone interact. energy: -1.698 local terms energy: -376.752257 where: bonds (distance) C4'-P energy: -68.178 bonds (distance) P-C4' energy: -98.724 flat angles C4'-P-C4' energy: -88.569 flat angles P-C4'-P energy: -47.653 tors. eta vs tors. theta energy: -73.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -815.579271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.579271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.579271 (E_RNA) where: Base-Base interactions energy: -489.899 where: short stacking energy: -240.265 Base-Backbone interact. energy: -0.381 local terms energy: -325.299319 where: bonds (distance) C4'-P energy: -86.815 bonds (distance) P-C4' energy: -89.081 flat angles C4'-P-C4' energy: -76.761 flat angles P-C4'-P energy: -41.189 tors. eta vs tors. theta energy: -31.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -526.107487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.107487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.107487 (E_RNA) where: Base-Base interactions energy: -267.112 where: short stacking energy: -167.755 Base-Backbone interact. energy: -2.334 local terms energy: -256.661797 where: bonds (distance) C4'-P energy: -70.794 bonds (distance) P-C4' energy: -87.848 flat angles C4'-P-C4' energy: -58.241 flat angles P-C4'-P energy: -30.679 tors. eta vs tors. theta energy: -9.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -404.263881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.263881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.263881 (E_RNA) where: Base-Base interactions energy: -168.206 where: short stacking energy: -133.501 Base-Backbone interact. energy: 0.977 local terms energy: -237.035298 where: bonds (distance) C4'-P energy: -94.460 bonds (distance) P-C4' energy: -73.781 flat angles C4'-P-C4' energy: -51.954 flat angles P-C4'-P energy: -28.626 tors. eta vs tors. theta energy: 11.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1699.378948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.378948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.378948 (E_RNA) where: Base-Base interactions energy: -1162.747 where: short stacking energy: -509.995 Base-Backbone interact. energy: -0.479 local terms energy: -536.152976 where: bonds (distance) C4'-P energy: -89.893 bonds (distance) P-C4' energy: -99.120 flat angles C4'-P-C4' energy: -110.691 flat angles P-C4'-P energy: -79.955 tors. eta vs tors. theta energy: -156.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1615.218126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.218126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.218126 (E_RNA) where: Base-Base interactions energy: -1101.861 where: short stacking energy: -464.975 Base-Backbone interact. energy: -0.755 local terms energy: -512.601985 where: bonds (distance) C4'-P energy: -99.595 bonds (distance) P-C4' energy: -95.396 flat angles C4'-P-C4' energy: -106.826 flat angles P-C4'-P energy: -70.679 tors. eta vs tors. theta energy: -140.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1522.226153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.226153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.226153 (E_RNA) where: Base-Base interactions energy: -1029.268 where: short stacking energy: -448.480 Base-Backbone interact. energy: -0.475 local terms energy: -492.483877 where: bonds (distance) C4'-P energy: -87.129 bonds (distance) P-C4' energy: -78.863 flat angles C4'-P-C4' energy: -107.816 flat angles P-C4'-P energy: -77.882 tors. eta vs tors. theta energy: -140.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1471.684128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.684128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.684128 (E_RNA) where: Base-Base interactions energy: -1024.121 where: short stacking energy: -410.325 Base-Backbone interact. energy: -3.184 local terms energy: -444.379513 where: bonds (distance) C4'-P energy: -84.844 bonds (distance) P-C4' energy: -80.814 flat angles C4'-P-C4' energy: -99.921 flat angles P-C4'-P energy: -61.766 tors. eta vs tors. theta energy: -117.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1359.001572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.001572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.001572 (E_RNA) where: Base-Base interactions energy: -943.002 where: short stacking energy: -417.363 Base-Backbone interact. energy: -1.354 local terms energy: -414.645246 where: bonds (distance) C4'-P energy: -64.943 bonds (distance) P-C4' energy: -65.775 flat angles C4'-P-C4' energy: -95.920 flat angles P-C4'-P energy: -68.811 tors. eta vs tors. theta energy: -119.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1182.802017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.802017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.802017 (E_RNA) where: Base-Base interactions energy: -778.334 where: short stacking energy: -364.659 Base-Backbone interact. energy: -1.268 local terms energy: -403.200272 where: bonds (distance) C4'-P energy: -70.981 bonds (distance) P-C4' energy: -91.373 flat angles C4'-P-C4' energy: -93.846 flat angles P-C4'-P energy: -54.821 tors. eta vs tors. theta energy: -92.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1056.701652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.701652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.701652 (E_RNA) where: Base-Base interactions energy: -685.132 where: short stacking energy: -336.078 Base-Backbone interact. energy: 2.337 local terms energy: -373.907234 where: bonds (distance) C4'-P energy: -67.726 bonds (distance) P-C4' energy: -71.620 flat angles C4'-P-C4' energy: -88.668 flat angles P-C4'-P energy: -64.128 tors. eta vs tors. theta energy: -81.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -804.478351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.478351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.478351 (E_RNA) where: Base-Base interactions energy: -485.595 where: short stacking energy: -243.408 Base-Backbone interact. energy: -0.473 local terms energy: -318.411150 where: bonds (distance) C4'-P energy: -69.877 bonds (distance) P-C4' energy: -74.147 flat angles C4'-P-C4' energy: -84.439 flat angles P-C4'-P energy: -45.836 tors. eta vs tors. theta energy: -44.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -487.991240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.991240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.991240 (E_RNA) where: Base-Base interactions energy: -244.021 where: short stacking energy: -152.606 Base-Backbone interact. energy: -0.134 local terms energy: -243.836134 where: bonds (distance) C4'-P energy: -56.491 bonds (distance) P-C4' energy: -76.998 flat angles C4'-P-C4' energy: -61.462 flat angles P-C4'-P energy: -42.497 tors. eta vs tors. theta energy: -6.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -395.995598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.995598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.995598 (E_RNA) where: Base-Base interactions energy: -141.796 where: short stacking energy: -122.519 Base-Backbone interact. energy: -0.212 local terms energy: -253.987930 where: bonds (distance) C4'-P energy: -87.843 bonds (distance) P-C4' energy: -80.657 flat angles C4'-P-C4' energy: -68.354 flat angles P-C4'-P energy: -29.023 tors. eta vs tors. theta energy: 11.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1703.636030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.636030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.636030 (E_RNA) where: Base-Base interactions energy: -1182.761 where: short stacking energy: -521.348 Base-Backbone interact. energy: -1.461 local terms energy: -519.413348 where: bonds (distance) C4'-P energy: -89.955 bonds (distance) P-C4' energy: -87.654 flat angles C4'-P-C4' energy: -107.629 flat angles P-C4'-P energy: -76.277 tors. eta vs tors. theta energy: -157.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1611.884167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.884167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.884167 (E_RNA) where: Base-Base interactions energy: -1098.039 where: short stacking energy: -496.243 Base-Backbone interact. energy: -1.080 local terms energy: -512.764987 where: bonds (distance) C4'-P energy: -90.354 bonds (distance) P-C4' energy: -97.590 flat angles C4'-P-C4' energy: -109.975 flat angles P-C4'-P energy: -64.741 tors. eta vs tors. theta energy: -150.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1496.231269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.231269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.231269 (E_RNA) where: Base-Base interactions energy: -1031.210 where: short stacking energy: -451.568 Base-Backbone interact. energy: -2.789 local terms energy: -462.231931 where: bonds (distance) C4'-P energy: -78.006 bonds (distance) P-C4' energy: -87.673 flat angles C4'-P-C4' energy: -96.611 flat angles P-C4'-P energy: -71.756 tors. eta vs tors. theta energy: -128.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1515.211358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.211358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.211358 (E_RNA) where: Base-Base interactions energy: -1046.753 where: short stacking energy: -447.540 Base-Backbone interact. energy: 0.439 local terms energy: -468.897387 where: bonds (distance) C4'-P energy: -86.574 bonds (distance) P-C4' energy: -88.366 flat angles C4'-P-C4' energy: -96.006 flat angles P-C4'-P energy: -64.759 tors. eta vs tors. theta energy: -133.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1314.119519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.119519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.119519 (E_RNA) where: Base-Base interactions energy: -880.191 where: short stacking energy: -417.369 Base-Backbone interact. energy: -0.915 local terms energy: -433.013325 where: bonds (distance) C4'-P energy: -81.977 bonds (distance) P-C4' energy: -88.431 flat angles C4'-P-C4' energy: -92.500 flat angles P-C4'-P energy: -55.203 tors. eta vs tors. theta energy: -114.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1179.121530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.121530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.121530 (E_RNA) where: Base-Base interactions energy: -784.061 where: short stacking energy: -329.133 Base-Backbone interact. energy: -1.745 local terms energy: -393.315901 where: bonds (distance) C4'-P energy: -81.836 bonds (distance) P-C4' energy: -88.202 flat angles C4'-P-C4' energy: -78.594 flat angles P-C4'-P energy: -56.768 tors. eta vs tors. theta energy: -87.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1061.543535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.543535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.543535 (E_RNA) where: Base-Base interactions energy: -697.627 where: short stacking energy: -323.645 Base-Backbone interact. energy: -1.944 local terms energy: -361.973298 where: bonds (distance) C4'-P energy: -73.725 bonds (distance) P-C4' energy: -73.340 flat angles C4'-P-C4' energy: -81.227 flat angles P-C4'-P energy: -55.583 tors. eta vs tors. theta energy: -78.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -840.366655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.366655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.366655 (E_RNA) where: Base-Base interactions energy: -505.501 where: short stacking energy: -231.052 Base-Backbone interact. energy: -3.835 local terms energy: -331.030216 where: bonds (distance) C4'-P energy: -68.553 bonds (distance) P-C4' energy: -81.851 flat angles C4'-P-C4' energy: -84.314 flat angles P-C4'-P energy: -52.299 tors. eta vs tors. theta energy: -44.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -568.876411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.876411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.876411 (E_RNA) where: Base-Base interactions energy: -271.050 where: short stacking energy: -148.210 Base-Backbone interact. energy: 0.011 local terms energy: -297.836894 where: bonds (distance) C4'-P energy: -85.241 bonds (distance) P-C4' energy: -92.260 flat angles C4'-P-C4' energy: -63.048 flat angles P-C4'-P energy: -54.187 tors. eta vs tors. theta energy: -3.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -426.647247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.647247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.647247 (E_RNA) where: Base-Base interactions energy: -179.871 where: short stacking energy: -122.086 Base-Backbone interact. energy: -1.069 local terms energy: -245.707816 where: bonds (distance) C4'-P energy: -70.585 bonds (distance) P-C4' energy: -70.625 flat angles C4'-P-C4' energy: -71.408 flat angles P-C4'-P energy: -37.359 tors. eta vs tors. theta energy: 4.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1721.564751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.564751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.564751 (E_RNA) where: Base-Base interactions energy: -1179.289 where: short stacking energy: -524.712 Base-Backbone interact. energy: -0.745 local terms energy: -541.530800 where: bonds (distance) C4'-P energy: -90.106 bonds (distance) P-C4' energy: -101.018 flat angles C4'-P-C4' energy: -110.254 flat angles P-C4'-P energy: -78.720 tors. eta vs tors. theta energy: -161.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1634.817084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.817084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.817084 (E_RNA) where: Base-Base interactions energy: -1129.804 where: short stacking energy: -483.113 Base-Backbone interact. energy: -0.608 local terms energy: -504.405753 where: bonds (distance) C4'-P energy: -89.950 bonds (distance) P-C4' energy: -89.547 flat angles C4'-P-C4' energy: -103.742 flat angles P-C4'-P energy: -76.656 tors. eta vs tors. theta energy: -144.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1545.584319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.584319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.584319 (E_RNA) where: Base-Base interactions energy: -1053.423 where: short stacking energy: -456.988 Base-Backbone interact. energy: -3.508 local terms energy: -488.653271 where: bonds (distance) C4'-P energy: -88.348 bonds (distance) P-C4' energy: -95.064 flat angles C4'-P-C4' energy: -97.270 flat angles P-C4'-P energy: -70.443 tors. eta vs tors. theta energy: -137.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1469.966337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.966337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.966337 (E_RNA) where: Base-Base interactions energy: -995.143 where: short stacking energy: -448.212 Base-Backbone interact. energy: 0.125 local terms energy: -474.947769 where: bonds (distance) C4'-P energy: -84.055 bonds (distance) P-C4' energy: -92.620 flat angles C4'-P-C4' energy: -97.931 flat angles P-C4'-P energy: -63.102 tors. eta vs tors. theta energy: -137.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1316.792104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.792104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.792104 (E_RNA) where: Base-Base interactions energy: -881.458 where: short stacking energy: -390.039 Base-Backbone interact. energy: -0.657 local terms energy: -434.676883 where: bonds (distance) C4'-P energy: -77.101 bonds (distance) P-C4' energy: -83.334 flat angles C4'-P-C4' energy: -98.841 flat angles P-C4'-P energy: -66.425 tors. eta vs tors. theta energy: -108.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1208.775944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.775944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.775944 (E_RNA) where: Base-Base interactions energy: -791.438 where: short stacking energy: -358.593 Base-Backbone interact. energy: 4.339 local terms energy: -421.677183 where: bonds (distance) C4'-P energy: -75.576 bonds (distance) P-C4' energy: -100.885 flat angles C4'-P-C4' energy: -94.603 flat angles P-C4'-P energy: -60.314 tors. eta vs tors. theta energy: -90.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1021.207357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.207357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.207357 (E_RNA) where: Base-Base interactions energy: -639.127 where: short stacking energy: -283.778 Base-Backbone interact. energy: -0.951 local terms energy: -381.128832 where: bonds (distance) C4'-P energy: -79.021 bonds (distance) P-C4' energy: -77.405 flat angles C4'-P-C4' energy: -89.795 flat angles P-C4'-P energy: -58.634 tors. eta vs tors. theta energy: -76.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -846.885450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.885450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.885450 (E_RNA) where: Base-Base interactions energy: -522.612 where: short stacking energy: -236.186 Base-Backbone interact. energy: -0.795 local terms energy: -323.478543 where: bonds (distance) C4'-P energy: -74.633 bonds (distance) P-C4' energy: -82.759 flat angles C4'-P-C4' energy: -82.426 flat angles P-C4'-P energy: -33.745 tors. eta vs tors. theta energy: -49.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -566.113186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.113186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.113186 (E_RNA) where: Base-Base interactions energy: -288.657 where: short stacking energy: -177.506 Base-Backbone interact. energy: -0.629 local terms energy: -276.827167 where: bonds (distance) C4'-P energy: -85.495 bonds (distance) P-C4' energy: -86.218 flat angles C4'-P-C4' energy: -63.744 flat angles P-C4'-P energy: -30.193 tors. eta vs tors. theta energy: -11.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -390.831842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.831842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.831842 (E_RNA) where: Base-Base interactions energy: -155.577 where: short stacking energy: -112.483 Base-Backbone interact. energy: 1.570 local terms energy: -236.824745 where: bonds (distance) C4'-P energy: -69.092 bonds (distance) P-C4' energy: -69.606 flat angles C4'-P-C4' energy: -75.342 flat angles P-C4'-P energy: -45.358 tors. eta vs tors. theta energy: 22.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1728.792518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.792518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.792518 (E_RNA) where: Base-Base interactions energy: -1207.760 where: short stacking energy: -508.712 Base-Backbone interact. energy: -2.683 local terms energy: -518.349836 where: bonds (distance) C4'-P energy: -92.895 bonds (distance) P-C4' energy: -89.322 flat angles C4'-P-C4' energy: -112.901 flat angles P-C4'-P energy: -61.689 tors. eta vs tors. theta energy: -161.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1592.293666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.293666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.293666 (E_RNA) where: Base-Base interactions energy: -1099.336 where: short stacking energy: -496.750 Base-Backbone interact. energy: 2.051 local terms energy: -495.008229 where: bonds (distance) C4'-P energy: -92.307 bonds (distance) P-C4' energy: -82.183 flat angles C4'-P-C4' energy: -115.284 flat angles P-C4'-P energy: -67.482 tors. eta vs tors. theta energy: -137.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1525.685219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.685219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.685219 (E_RNA) where: Base-Base interactions energy: -1051.903 where: short stacking energy: -468.242 Base-Backbone interact. energy: -3.533 local terms energy: -470.249467 where: bonds (distance) C4'-P energy: -82.228 bonds (distance) P-C4' energy: -82.518 flat angles C4'-P-C4' energy: -107.315 flat angles P-C4'-P energy: -64.419 tors. eta vs tors. theta energy: -133.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1483.430259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1483.430259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1483.430259 (E_RNA) where: Base-Base interactions energy: -1009.561 where: short stacking energy: -447.703 Base-Backbone interact. energy: 0.553 local terms energy: -474.422148 where: bonds (distance) C4'-P energy: -86.274 bonds (distance) P-C4' energy: -94.854 flat angles C4'-P-C4' energy: -102.187 flat angles P-C4'-P energy: -68.179 tors. eta vs tors. theta energy: -122.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1340.492679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.492679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.492679 (E_RNA) where: Base-Base interactions energy: -932.220 where: short stacking energy: -410.401 Base-Backbone interact. energy: 4.908 local terms energy: -413.181518 where: bonds (distance) C4'-P energy: -64.590 bonds (distance) P-C4' energy: -90.244 flat angles C4'-P-C4' energy: -82.208 flat angles P-C4'-P energy: -61.824 tors. eta vs tors. theta energy: -114.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1240.735527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.735527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.735527 (E_RNA) where: Base-Base interactions energy: -830.857 where: short stacking energy: -381.299 Base-Backbone interact. energy: -1.582 local terms energy: -408.296783 where: bonds (distance) C4'-P energy: -67.944 bonds (distance) P-C4' energy: -88.324 flat angles C4'-P-C4' energy: -87.439 flat angles P-C4'-P energy: -63.271 tors. eta vs tors. theta energy: -101.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -968.485192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.485192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.485192 (E_RNA) where: Base-Base interactions energy: -601.664 where: short stacking energy: -279.885 Base-Backbone interact. energy: -2.354 local terms energy: -364.467438 where: bonds (distance) C4'-P energy: -81.028 bonds (distance) P-C4' energy: -76.977 flat angles C4'-P-C4' energy: -87.010 flat angles P-C4'-P energy: -58.548 tors. eta vs tors. theta energy: -60.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -836.581112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.581112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.581112 (E_RNA) where: Base-Base interactions energy: -506.470 where: short stacking energy: -242.516 Base-Backbone interact. energy: -1.708 local terms energy: -328.403655 where: bonds (distance) C4'-P energy: -69.669 bonds (distance) P-C4' energy: -89.663 flat angles C4'-P-C4' energy: -79.627 flat angles P-C4'-P energy: -37.150 tors. eta vs tors. theta energy: -52.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -570.256459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.256459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.256459 (E_RNA) where: Base-Base interactions energy: -290.951 where: short stacking energy: -180.602 Base-Backbone interact. energy: 5.864 local terms energy: -285.169944 where: bonds (distance) C4'-P energy: -84.721 bonds (distance) P-C4' energy: -92.832 flat angles C4'-P-C4' energy: -67.017 flat angles P-C4'-P energy: -29.485 tors. eta vs tors. theta energy: -11.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -392.710684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.710684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.710684 (E_RNA) where: Base-Base interactions energy: -119.622 where: short stacking energy: -103.673 Base-Backbone interact. energy: 3.488 local terms energy: -276.576465 where: bonds (distance) C4'-P energy: -77.773 bonds (distance) P-C4' energy: -72.446 flat angles C4'-P-C4' energy: -83.536 flat angles P-C4'-P energy: -43.277 tors. eta vs tors. theta energy: 0.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1714.976114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.976114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.976114 (E_RNA) where: Base-Base interactions energy: -1190.253 where: short stacking energy: -514.668 Base-Backbone interact. energy: -1.286 local terms energy: -523.436529 where: bonds (distance) C4'-P energy: -96.485 bonds (distance) P-C4' energy: -86.815 flat angles C4'-P-C4' energy: -112.166 flat angles P-C4'-P energy: -75.013 tors. eta vs tors. theta energy: -152.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1605.530407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.530407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.530407 (E_RNA) where: Base-Base interactions energy: -1099.637 where: short stacking energy: -479.590 Base-Backbone interact. energy: -2.546 local terms energy: -503.346846 where: bonds (distance) C4'-P energy: -90.356 bonds (distance) P-C4' energy: -94.115 flat angles C4'-P-C4' energy: -107.996 flat angles P-C4'-P energy: -64.133 tors. eta vs tors. theta energy: -146.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1544.904411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.904411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.904411 (E_RNA) where: Base-Base interactions energy: -1053.058 where: short stacking energy: -446.021 Base-Backbone interact. energy: -3.778 local terms energy: -488.067966 where: bonds (distance) C4'-P energy: -88.764 bonds (distance) P-C4' energy: -88.664 flat angles C4'-P-C4' energy: -108.807 flat angles P-C4'-P energy: -69.130 tors. eta vs tors. theta energy: -132.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1487.617481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.617481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.617481 (E_RNA) where: Base-Base interactions energy: -1029.041 where: short stacking energy: -429.373 Base-Backbone interact. energy: 2.463 local terms energy: -461.039500 where: bonds (distance) C4'-P energy: -83.084 bonds (distance) P-C4' energy: -92.773 flat angles C4'-P-C4' energy: -90.751 flat angles P-C4'-P energy: -60.245 tors. eta vs tors. theta energy: -134.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1343.143176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.143176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.143176 (E_RNA) where: Base-Base interactions energy: -900.069 where: short stacking energy: -401.311 Base-Backbone interact. energy: 1.457 local terms energy: -444.530456 where: bonds (distance) C4'-P energy: -83.586 bonds (distance) P-C4' energy: -84.534 flat angles C4'-P-C4' energy: -96.058 flat angles P-C4'-P energy: -57.087 tors. eta vs tors. theta energy: -123.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1223.183236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.183236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.183236 (E_RNA) where: Base-Base interactions energy: -816.386 where: short stacking energy: -371.836 Base-Backbone interact. energy: -0.962 local terms energy: -405.834988 where: bonds (distance) C4'-P energy: -76.725 bonds (distance) P-C4' energy: -75.603 flat angles C4'-P-C4' energy: -93.691 flat angles P-C4'-P energy: -54.609 tors. eta vs tors. theta energy: -105.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -979.496305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.496305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.496305 (E_RNA) where: Base-Base interactions energy: -608.769 where: short stacking energy: -268.427 Base-Backbone interact. energy: -2.591 local terms energy: -368.135731 where: bonds (distance) C4'-P energy: -77.995 bonds (distance) P-C4' energy: -92.812 flat angles C4'-P-C4' energy: -78.087 flat angles P-C4'-P energy: -55.169 tors. eta vs tors. theta energy: -64.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -857.092204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.092204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.092204 (E_RNA) where: Base-Base interactions energy: -535.505 where: short stacking energy: -272.360 Base-Backbone interact. energy: -1.481 local terms energy: -320.105838 where: bonds (distance) C4'-P energy: -79.233 bonds (distance) P-C4' energy: -70.140 flat angles C4'-P-C4' energy: -66.947 flat angles P-C4'-P energy: -42.085 tors. eta vs tors. theta energy: -61.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -600.279849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.279849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.279849 (E_RNA) where: Base-Base interactions energy: -328.449 where: short stacking energy: -178.225 Base-Backbone interact. energy: -2.228 local terms energy: -269.603275 where: bonds (distance) C4'-P energy: -68.749 bonds (distance) P-C4' energy: -85.466 flat angles C4'-P-C4' energy: -61.166 flat angles P-C4'-P energy: -42.077 tors. eta vs tors. theta energy: -12.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -385.768581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.768581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.768581 (E_RNA) where: Base-Base interactions energy: -153.783 where: short stacking energy: -115.645 Base-Backbone interact. energy: -1.025 local terms energy: -230.960599 where: bonds (distance) C4'-P energy: -64.220 bonds (distance) P-C4' energy: -75.333 flat angles C4'-P-C4' energy: -66.600 flat angles P-C4'-P energy: -37.717 tors. eta vs tors. theta energy: 12.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1713.028214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.028214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.028214 (E_RNA) where: Base-Base interactions energy: -1192.888 where: short stacking energy: -521.131 Base-Backbone interact. energy: -1.704 local terms energy: -518.436166 where: bonds (distance) C4'-P energy: -86.315 bonds (distance) P-C4' energy: -90.397 flat angles C4'-P-C4' energy: -113.292 flat angles P-C4'-P energy: -72.253 tors. eta vs tors. theta energy: -156.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1636.621188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.621188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.621188 (E_RNA) where: Base-Base interactions energy: -1137.687 where: short stacking energy: -478.535 Base-Backbone interact. energy: -2.930 local terms energy: -496.004510 where: bonds (distance) C4'-P energy: -86.921 bonds (distance) P-C4' energy: -90.715 flat angles C4'-P-C4' energy: -106.731 flat angles P-C4'-P energy: -63.006 tors. eta vs tors. theta energy: -148.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1560.682716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.682716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.682716 (E_RNA) where: Base-Base interactions energy: -1082.368 where: short stacking energy: -470.628 Base-Backbone interact. energy: 1.659 local terms energy: -479.973972 where: bonds (distance) C4'-P energy: -82.184 bonds (distance) P-C4' energy: -89.296 flat angles C4'-P-C4' energy: -100.860 flat angles P-C4'-P energy: -75.814 tors. eta vs tors. theta energy: -131.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1476.908244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.908244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.908244 (E_RNA) where: Base-Base interactions energy: -1004.886 where: short stacking energy: -454.330 Base-Backbone interact. energy: -2.628 local terms energy: -469.394199 where: bonds (distance) C4'-P energy: -81.409 bonds (distance) P-C4' energy: -74.464 flat angles C4'-P-C4' energy: -110.046 flat angles P-C4'-P energy: -72.268 tors. eta vs tors. theta energy: -131.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1315.301701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.301701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.301701 (E_RNA) where: Base-Base interactions energy: -882.143 where: short stacking energy: -402.289 Base-Backbone interact. energy: -1.078 local terms energy: -432.080486 where: bonds (distance) C4'-P energy: -93.631 bonds (distance) P-C4' energy: -76.629 flat angles C4'-P-C4' energy: -90.456 flat angles P-C4'-P energy: -69.665 tors. eta vs tors. theta energy: -101.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1249.472604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.472604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.472604 (E_RNA) where: Base-Base interactions energy: -819.640 where: short stacking energy: -394.244 Base-Backbone interact. energy: -0.132 local terms energy: -429.700288 where: bonds (distance) C4'-P energy: -73.691 bonds (distance) P-C4' energy: -89.980 flat angles C4'-P-C4' energy: -99.463 flat angles P-C4'-P energy: -66.141 tors. eta vs tors. theta energy: -100.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1054.112381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.112381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.112381 (E_RNA) where: Base-Base interactions energy: -681.805 where: short stacking energy: -314.312 Base-Backbone interact. energy: -0.996 local terms energy: -371.311373 where: bonds (distance) C4'-P energy: -81.698 bonds (distance) P-C4' energy: -74.490 flat angles C4'-P-C4' energy: -96.179 flat angles P-C4'-P energy: -54.393 tors. eta vs tors. theta energy: -64.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -760.862741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.862741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.862741 (E_RNA) where: Base-Base interactions energy: -425.955 where: short stacking energy: -223.789 Base-Backbone interact. energy: -3.630 local terms energy: -331.278111 where: bonds (distance) C4'-P energy: -78.678 bonds (distance) P-C4' energy: -91.733 flat angles C4'-P-C4' energy: -66.431 flat angles P-C4'-P energy: -47.077 tors. eta vs tors. theta energy: -47.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -589.598216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.598216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.598216 (E_RNA) where: Base-Base interactions energy: -304.578 where: short stacking energy: -178.958 Base-Backbone interact. energy: -2.349 local terms energy: -282.671132 where: bonds (distance) C4'-P energy: -58.934 bonds (distance) P-C4' energy: -83.681 flat angles C4'-P-C4' energy: -68.867 flat angles P-C4'-P energy: -43.046 tors. eta vs tors. theta energy: -28.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -389.974925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.974925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.974925 (E_RNA) where: Base-Base interactions energy: -171.597 where: short stacking energy: -107.052 Base-Backbone interact. energy: 2.445 local terms energy: -220.822487 where: bonds (distance) C4'-P energy: -65.224 bonds (distance) P-C4' energy: -85.181 flat angles C4'-P-C4' energy: -50.027 flat angles P-C4'-P energy: -36.572 tors. eta vs tors. theta energy: 16.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1704.947539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.947539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.947539 (E_RNA) where: Base-Base interactions energy: -1170.455 where: short stacking energy: -523.446 Base-Backbone interact. energy: 1.159 local terms energy: -535.651381 where: bonds (distance) C4'-P energy: -93.800 bonds (distance) P-C4' energy: -93.427 flat angles C4'-P-C4' energy: -107.659 flat angles P-C4'-P energy: -79.126 tors. eta vs tors. theta energy: -161.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1631.620698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.620698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.620698 (E_RNA) where: Base-Base interactions energy: -1134.615 where: short stacking energy: -482.874 Base-Backbone interact. energy: -1.909 local terms energy: -495.096267 where: bonds (distance) C4'-P energy: -89.858 bonds (distance) P-C4' energy: -82.854 flat angles C4'-P-C4' energy: -105.250 flat angles P-C4'-P energy: -66.374 tors. eta vs tors. theta energy: -150.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1526.968887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.968887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.968887 (E_RNA) where: Base-Base interactions energy: -1057.055 where: short stacking energy: -469.819 Base-Backbone interact. energy: -2.502 local terms energy: -467.411705 where: bonds (distance) C4'-P energy: -79.832 bonds (distance) P-C4' energy: -82.358 flat angles C4'-P-C4' energy: -104.339 flat angles P-C4'-P energy: -68.159 tors. eta vs tors. theta energy: -132.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1476.531561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.531561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.531561 (E_RNA) where: Base-Base interactions energy: -1027.621 where: short stacking energy: -424.816 Base-Backbone interact. energy: -3.029 local terms energy: -445.881969 where: bonds (distance) C4'-P energy: -87.138 bonds (distance) P-C4' energy: -84.693 flat angles C4'-P-C4' energy: -92.596 flat angles P-C4'-P energy: -56.018 tors. eta vs tors. theta energy: -125.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1323.108756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.108756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.108756 (E_RNA) where: Base-Base interactions energy: -890.112 where: short stacking energy: -422.096 Base-Backbone interact. energy: -0.031 local terms energy: -432.965777 where: bonds (distance) C4'-P energy: -70.168 bonds (distance) P-C4' energy: -85.623 flat angles C4'-P-C4' energy: -94.274 flat angles P-C4'-P energy: -56.699 tors. eta vs tors. theta energy: -126.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1214.827877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.827877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.827877 (E_RNA) where: Base-Base interactions energy: -817.275 where: short stacking energy: -384.348 Base-Backbone interact. energy: -0.279 local terms energy: -397.273706 where: bonds (distance) C4'-P energy: -77.173 bonds (distance) P-C4' energy: -74.347 flat angles C4'-P-C4' energy: -87.715 flat angles P-C4'-P energy: -51.383 tors. eta vs tors. theta energy: -106.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1050.999865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.999865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.999865 (E_RNA) where: Base-Base interactions energy: -670.964 where: short stacking energy: -291.638 Base-Backbone interact. energy: 0.122 local terms energy: -380.158048 where: bonds (distance) C4'-P energy: -93.778 bonds (distance) P-C4' energy: -84.729 flat angles C4'-P-C4' energy: -85.732 flat angles P-C4'-P energy: -42.736 tors. eta vs tors. theta energy: -73.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -803.929862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.929862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.929862 (E_RNA) where: Base-Base interactions energy: -473.898 where: short stacking energy: -231.701 Base-Backbone interact. energy: 2.526 local terms energy: -332.557622 where: bonds (distance) C4'-P energy: -84.527 bonds (distance) P-C4' energy: -83.503 flat angles C4'-P-C4' energy: -80.340 flat angles P-C4'-P energy: -42.200 tors. eta vs tors. theta energy: -41.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -582.106837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.106837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.106837 (E_RNA) where: Base-Base interactions energy: -299.582 where: short stacking energy: -151.457 Base-Backbone interact. energy: 5.254 local terms energy: -287.779247 where: bonds (distance) C4'-P energy: -95.431 bonds (distance) P-C4' energy: -77.632 flat angles C4'-P-C4' energy: -67.935 flat angles P-C4'-P energy: -55.033 tors. eta vs tors. theta energy: 8.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -394.845514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.845514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.845514 (E_RNA) where: Base-Base interactions energy: -159.490 where: short stacking energy: -124.379 Base-Backbone interact. energy: 2.184 local terms energy: -237.538732 where: bonds (distance) C4'-P energy: -65.164 bonds (distance) P-C4' energy: -74.952 flat angles C4'-P-C4' energy: -65.101 flat angles P-C4'-P energy: -27.919 tors. eta vs tors. theta energy: -4.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1696.715435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.715435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.715435 (E_RNA) where: Base-Base interactions energy: -1169.487 where: short stacking energy: -492.318 Base-Backbone interact. energy: -0.327 local terms energy: -526.900970 where: bonds (distance) C4'-P energy: -90.972 bonds (distance) P-C4' energy: -106.873 flat angles C4'-P-C4' energy: -102.016 flat angles P-C4'-P energy: -73.475 tors. eta vs tors. theta energy: -153.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1610.900002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.900002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.900002 (E_RNA) where: Base-Base interactions energy: -1072.185 where: short stacking energy: -469.227 Base-Backbone interact. energy: -1.552 local terms energy: -537.163234 where: bonds (distance) C4'-P energy: -101.306 bonds (distance) P-C4' energy: -102.639 flat angles C4'-P-C4' energy: -104.352 flat angles P-C4'-P energy: -82.841 tors. eta vs tors. theta energy: -146.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1524.673136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.673136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.673136 (E_RNA) where: Base-Base interactions energy: -1058.082 where: short stacking energy: -441.244 Base-Backbone interact. energy: -3.558 local terms energy: -463.033315 where: bonds (distance) C4'-P energy: -93.457 bonds (distance) P-C4' energy: -79.578 flat angles C4'-P-C4' energy: -93.649 flat angles P-C4'-P energy: -63.687 tors. eta vs tors. theta energy: -132.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1476.325477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.325477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.325477 (E_RNA) where: Base-Base interactions energy: -1014.548 where: short stacking energy: -457.907 Base-Backbone interact. energy: -2.022 local terms energy: -459.755541 where: bonds (distance) C4'-P energy: -76.259 bonds (distance) P-C4' energy: -75.013 flat angles C4'-P-C4' energy: -109.490 flat angles P-C4'-P energy: -65.979 tors. eta vs tors. theta energy: -133.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1313.274494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.274494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.274494 (E_RNA) where: Base-Base interactions energy: -873.775 where: short stacking energy: -396.283 Base-Backbone interact. energy: -0.834 local terms energy: -438.665608 where: bonds (distance) C4'-P energy: -79.222 bonds (distance) P-C4' energy: -90.253 flat angles C4'-P-C4' energy: -87.814 flat angles P-C4'-P energy: -58.833 tors. eta vs tors. theta energy: -122.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1202.269665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.269665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.269665 (E_RNA) where: Base-Base interactions energy: -806.236 where: short stacking energy: -354.795 Base-Backbone interact. energy: -1.667 local terms energy: -394.367239 where: bonds (distance) C4'-P energy: -82.389 bonds (distance) P-C4' energy: -76.080 flat angles C4'-P-C4' energy: -83.778 flat angles P-C4'-P energy: -61.928 tors. eta vs tors. theta energy: -90.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1028.973700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.973700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.973700 (E_RNA) where: Base-Base interactions energy: -662.673 where: short stacking energy: -294.287 Base-Backbone interact. energy: 1.593 local terms energy: -367.893690 where: bonds (distance) C4'-P energy: -76.594 bonds (distance) P-C4' energy: -79.480 flat angles C4'-P-C4' energy: -81.815 flat angles P-C4'-P energy: -61.069 tors. eta vs tors. theta energy: -68.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -842.070746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.070746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.070746 (E_RNA) where: Base-Base interactions energy: -493.411 where: short stacking energy: -263.504 Base-Backbone interact. energy: -1.346 local terms energy: -347.314233 where: bonds (distance) C4'-P energy: -80.101 bonds (distance) P-C4' energy: -85.867 flat angles C4'-P-C4' energy: -83.943 flat angles P-C4'-P energy: -46.321 tors. eta vs tors. theta energy: -51.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -575.979786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.979786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.979786 (E_RNA) where: Base-Base interactions energy: -319.206 where: short stacking energy: -175.770 Base-Backbone interact. energy: 0.839 local terms energy: -257.613227 where: bonds (distance) C4'-P energy: -65.990 bonds (distance) P-C4' energy: -81.041 flat angles C4'-P-C4' energy: -72.061 flat angles P-C4'-P energy: -33.354 tors. eta vs tors. theta energy: -5.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -385.492377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.492377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.492377 (E_RNA) where: Base-Base interactions energy: -167.292 where: short stacking energy: -108.536 Base-Backbone interact. energy: 2.519 local terms energy: -220.718971 where: bonds (distance) C4'-P energy: -64.829 bonds (distance) P-C4' energy: -89.048 flat angles C4'-P-C4' energy: -49.300 flat angles P-C4'-P energy: -38.263 tors. eta vs tors. theta energy: 20.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1694.983154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.983154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.983154 (E_RNA) where: Base-Base interactions energy: -1182.643 where: short stacking energy: -522.285 Base-Backbone interact. energy: -1.500 local terms energy: -510.840103 where: bonds (distance) C4'-P energy: -98.773 bonds (distance) P-C4' energy: -88.691 flat angles C4'-P-C4' energy: -110.607 flat angles P-C4'-P energy: -61.067 tors. eta vs tors. theta energy: -151.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1640.583524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.583524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.583524 (E_RNA) where: Base-Base interactions energy: -1138.712 where: short stacking energy: -505.191 Base-Backbone interact. energy: 1.666 local terms energy: -503.537691 where: bonds (distance) C4'-P energy: -103.448 bonds (distance) P-C4' energy: -90.154 flat angles C4'-P-C4' energy: -102.917 flat angles P-C4'-P energy: -63.169 tors. eta vs tors. theta energy: -143.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1514.516654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.516654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.516654 (E_RNA) where: Base-Base interactions energy: -1029.941 where: short stacking energy: -456.044 Base-Backbone interact. energy: -0.103 local terms energy: -484.473107 where: bonds (distance) C4'-P energy: -94.921 bonds (distance) P-C4' energy: -80.309 flat angles C4'-P-C4' energy: -101.288 flat angles P-C4'-P energy: -65.754 tors. eta vs tors. theta energy: -142.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1511.249041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.249041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.249041 (E_RNA) where: Base-Base interactions energy: -1033.583 where: short stacking energy: -439.154 Base-Backbone interact. energy: -3.779 local terms energy: -473.886283 where: bonds (distance) C4'-P energy: -80.938 bonds (distance) P-C4' energy: -89.034 flat angles C4'-P-C4' energy: -104.023 flat angles P-C4'-P energy: -69.526 tors. eta vs tors. theta energy: -130.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1344.055047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.055047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.055047 (E_RNA) where: Base-Base interactions energy: -923.888 where: short stacking energy: -410.824 Base-Backbone interact. energy: -1.368 local terms energy: -418.798249 where: bonds (distance) C4'-P energy: -69.193 bonds (distance) P-C4' energy: -79.748 flat angles C4'-P-C4' energy: -97.027 flat angles P-C4'-P energy: -51.316 tors. eta vs tors. theta energy: -121.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1252.421836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.421836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.421836 (E_RNA) where: Base-Base interactions energy: -841.559 where: short stacking energy: -349.793 Base-Backbone interact. energy: -1.633 local terms energy: -409.230145 where: bonds (distance) C4'-P energy: -76.447 bonds (distance) P-C4' energy: -80.651 flat angles C4'-P-C4' energy: -94.038 flat angles P-C4'-P energy: -53.120 tors. eta vs tors. theta energy: -104.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -975.372519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.372519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.372519 (E_RNA) where: Base-Base interactions energy: -624.404 where: short stacking energy: -297.458 Base-Backbone interact. energy: 1.858 local terms energy: -352.826580 where: bonds (distance) C4'-P energy: -88.299 bonds (distance) P-C4' energy: -82.198 flat angles C4'-P-C4' energy: -90.458 flat angles P-C4'-P energy: -40.283 tors. eta vs tors. theta energy: -51.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -826.027085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.027085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.027085 (E_RNA) where: Base-Base interactions energy: -505.136 where: short stacking energy: -260.535 Base-Backbone interact. energy: -2.160 local terms energy: -318.731985 where: bonds (distance) C4'-P energy: -87.587 bonds (distance) P-C4' energy: -68.186 flat angles C4'-P-C4' energy: -74.153 flat angles P-C4'-P energy: -45.957 tors. eta vs tors. theta energy: -42.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -582.677180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.677180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.677180 (E_RNA) where: Base-Base interactions energy: -302.672 where: short stacking energy: -180.234 Base-Backbone interact. energy: 1.297 local terms energy: -281.301578 where: bonds (distance) C4'-P energy: -72.212 bonds (distance) P-C4' energy: -84.411 flat angles C4'-P-C4' energy: -66.731 flat angles P-C4'-P energy: -55.879 tors. eta vs tors. theta energy: -2.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -400.065493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.065493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.065493 (E_RNA) where: Base-Base interactions energy: -161.933 where: short stacking energy: -108.047 Base-Backbone interact. energy: 1.162 local terms energy: -239.293997 where: bonds (distance) C4'-P energy: -85.078 bonds (distance) P-C4' energy: -65.086 flat angles C4'-P-C4' energy: -63.818 flat angles P-C4'-P energy: -31.629 tors. eta vs tors. theta energy: 6.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1698.401582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.401582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.401582 (E_RNA) where: Base-Base interactions energy: -1159.233 where: short stacking energy: -512.776 Base-Backbone interact. energy: -2.835 local terms energy: -536.333753 where: bonds (distance) C4'-P energy: -103.536 bonds (distance) P-C4' energy: -101.404 flat angles C4'-P-C4' energy: -106.662 flat angles P-C4'-P energy: -66.308 tors. eta vs tors. theta energy: -158.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1598.332729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.332729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.332729 (E_RNA) where: Base-Base interactions energy: -1098.973 where: short stacking energy: -478.001 Base-Backbone interact. energy: -2.726 local terms energy: -496.633569 where: bonds (distance) C4'-P energy: -97.851 bonds (distance) P-C4' energy: -83.402 flat angles C4'-P-C4' energy: -99.726 flat angles P-C4'-P energy: -70.031 tors. eta vs tors. theta energy: -145.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1520.392344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.392344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.392344 (E_RNA) where: Base-Base interactions energy: -1045.036 where: short stacking energy: -453.526 Base-Backbone interact. energy: 0.512 local terms energy: -475.867944 where: bonds (distance) C4'-P energy: -83.070 bonds (distance) P-C4' energy: -96.464 flat angles C4'-P-C4' energy: -92.980 flat angles P-C4'-P energy: -66.177 tors. eta vs tors. theta energy: -137.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1458.044087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.044087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.044087 (E_RNA) where: Base-Base interactions energy: -1012.735 where: short stacking energy: -449.699 Base-Backbone interact. energy: -2.175 local terms energy: -443.134529 where: bonds (distance) C4'-P energy: -88.383 bonds (distance) P-C4' energy: -87.236 flat angles C4'-P-C4' energy: -84.736 flat angles P-C4'-P energy: -60.393 tors. eta vs tors. theta energy: -122.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1327.275500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.275500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.275500 (E_RNA) where: Base-Base interactions energy: -896.014 where: short stacking energy: -402.839 Base-Backbone interact. energy: -3.024 local terms energy: -428.237109 where: bonds (distance) C4'-P energy: -77.253 bonds (distance) P-C4' energy: -85.993 flat angles C4'-P-C4' energy: -99.251 flat angles P-C4'-P energy: -55.416 tors. eta vs tors. theta energy: -110.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1272.879681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.879681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.879681 (E_RNA) where: Base-Base interactions energy: -839.783 where: short stacking energy: -377.342 Base-Backbone interact. energy: -1.704 local terms energy: -431.392520 where: bonds (distance) C4'-P energy: -92.669 bonds (distance) P-C4' energy: -79.677 flat angles C4'-P-C4' energy: -90.608 flat angles P-C4'-P energy: -61.869 tors. eta vs tors. theta energy: -106.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -987.782688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.782688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.782688 (E_RNA) where: Base-Base interactions energy: -624.427 where: short stacking energy: -300.247 Base-Backbone interact. energy: -1.481 local terms energy: -361.875017 where: bonds (distance) C4'-P energy: -63.227 bonds (distance) P-C4' energy: -81.869 flat angles C4'-P-C4' energy: -93.647 flat angles P-C4'-P energy: -60.133 tors. eta vs tors. theta energy: -62.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -886.356811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.356811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.356811 (E_RNA) where: Base-Base interactions energy: -556.132 where: short stacking energy: -268.368 Base-Backbone interact. energy: 4.080 local terms energy: -334.304944 where: bonds (distance) C4'-P energy: -81.745 bonds (distance) P-C4' energy: -64.724 flat angles C4'-P-C4' energy: -82.799 flat angles P-C4'-P energy: -57.683 tors. eta vs tors. theta energy: -47.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -592.031545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.031545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.031545 (E_RNA) where: Base-Base interactions energy: -294.020 where: short stacking energy: -164.315 Base-Backbone interact. energy: -3.429 local terms energy: -294.582292 where: bonds (distance) C4'-P energy: -83.456 bonds (distance) P-C4' energy: -71.071 flat angles C4'-P-C4' energy: -68.767 flat angles P-C4'-P energy: -44.686 tors. eta vs tors. theta energy: -26.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -351.564569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.564569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.564569 (E_RNA) where: Base-Base interactions energy: -134.606 where: short stacking energy: -88.471 Base-Backbone interact. energy: 0.694 local terms energy: -217.651886 where: bonds (distance) C4'-P energy: -67.924 bonds (distance) P-C4' energy: -86.338 flat angles C4'-P-C4' energy: -54.476 flat angles P-C4'-P energy: -37.064 tors. eta vs tors. theta energy: 28.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1710.484768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.484768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.484768 (E_RNA) where: Base-Base interactions energy: -1166.942 where: short stacking energy: -521.615 Base-Backbone interact. energy: -3.466 local terms energy: -540.076539 where: bonds (distance) C4'-P energy: -100.452 bonds (distance) P-C4' energy: -95.876 flat angles C4'-P-C4' energy: -110.346 flat angles P-C4'-P energy: -75.779 tors. eta vs tors. theta energy: -157.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1631.257578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.257578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.257578 (E_RNA) where: Base-Base interactions energy: -1133.706 where: short stacking energy: -498.610 Base-Backbone interact. energy: 0.798 local terms energy: -498.349665 where: bonds (distance) C4'-P energy: -97.110 bonds (distance) P-C4' energy: -84.222 flat angles C4'-P-C4' energy: -98.305 flat angles P-C4'-P energy: -73.486 tors. eta vs tors. theta energy: -145.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1534.494919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.494919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.494919 (E_RNA) where: Base-Base interactions energy: -1082.614 where: short stacking energy: -459.549 Base-Backbone interact. energy: -2.908 local terms energy: -448.972659 where: bonds (distance) C4'-P energy: -81.687 bonds (distance) P-C4' energy: -77.039 flat angles C4'-P-C4' energy: -99.399 flat angles P-C4'-P energy: -68.423 tors. eta vs tors. theta energy: -122.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1480.981213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.981213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.981213 (E_RNA) where: Base-Base interactions energy: -1009.474 where: short stacking energy: -436.508 Base-Backbone interact. energy: -2.945 local terms energy: -468.562519 where: bonds (distance) C4'-P energy: -87.603 bonds (distance) P-C4' energy: -83.951 flat angles C4'-P-C4' energy: -109.829 flat angles P-C4'-P energy: -66.596 tors. eta vs tors. theta energy: -120.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1301.828361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.828361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.828361 (E_RNA) where: Base-Base interactions energy: -884.664 where: short stacking energy: -393.078 Base-Backbone interact. energy: -1.664 local terms energy: -415.500906 where: bonds (distance) C4'-P energy: -85.594 bonds (distance) P-C4' energy: -79.676 flat angles C4'-P-C4' energy: -86.945 flat angles P-C4'-P energy: -63.289 tors. eta vs tors. theta energy: -99.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1268.645273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.645273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.645273 (E_RNA) where: Base-Base interactions energy: -828.966 where: short stacking energy: -370.567 Base-Backbone interact. energy: -0.266 local terms energy: -439.413434 where: bonds (distance) C4'-P energy: -77.514 bonds (distance) P-C4' energy: -86.068 flat angles C4'-P-C4' energy: -94.671 flat angles P-C4'-P energy: -73.746 tors. eta vs tors. theta energy: -107.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1035.611020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.611020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.611020 (E_RNA) where: Base-Base interactions energy: -634.974 where: short stacking energy: -298.594 Base-Backbone interact. energy: -1.091 local terms energy: -399.546673 where: bonds (distance) C4'-P energy: -91.298 bonds (distance) P-C4' energy: -80.656 flat angles C4'-P-C4' energy: -93.975 flat angles P-C4'-P energy: -63.081 tors. eta vs tors. theta energy: -70.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -815.539149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.539149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.539149 (E_RNA) where: Base-Base interactions energy: -476.545 where: short stacking energy: -228.673 Base-Backbone interact. energy: -2.059 local terms energy: -336.935069 where: bonds (distance) C4'-P energy: -75.000 bonds (distance) P-C4' energy: -89.639 flat angles C4'-P-C4' energy: -87.489 flat angles P-C4'-P energy: -47.576 tors. eta vs tors. theta energy: -37.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -626.304254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.304254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.304254 (E_RNA) where: Base-Base interactions energy: -347.870 where: short stacking energy: -198.278 Base-Backbone interact. energy: 0.603 local terms energy: -279.037289 where: bonds (distance) C4'-P energy: -60.018 bonds (distance) P-C4' energy: -80.287 flat angles C4'-P-C4' energy: -74.932 flat angles P-C4'-P energy: -47.423 tors. eta vs tors. theta energy: -16.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -404.472104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.472104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.472104 (E_RNA) where: Base-Base interactions energy: -160.624 where: short stacking energy: -135.161 Base-Backbone interact. energy: 0.712 local terms energy: -244.560073 where: bonds (distance) C4'-P energy: -75.935 bonds (distance) P-C4' energy: -81.138 flat angles C4'-P-C4' energy: -68.828 flat angles P-C4'-P energy: -23.615 tors. eta vs tors. theta energy: 4.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1694.926551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.926551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.926551 (E_RNA) where: Base-Base interactions energy: -1148.944 where: short stacking energy: -501.180 Base-Backbone interact. energy: -3.646 local terms energy: -542.336497 where: bonds (distance) C4'-P energy: -92.052 bonds (distance) P-C4' energy: -92.482 flat angles C4'-P-C4' energy: -118.123 flat angles P-C4'-P energy: -82.428 tors. eta vs tors. theta energy: -157.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1632.690208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.690208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.690208 (E_RNA) where: Base-Base interactions energy: -1133.544 where: short stacking energy: -504.714 Base-Backbone interact. energy: -1.908 local terms energy: -497.238985 where: bonds (distance) C4'-P energy: -87.930 bonds (distance) P-C4' energy: -91.368 flat angles C4'-P-C4' energy: -97.118 flat angles P-C4'-P energy: -69.585 tors. eta vs tors. theta energy: -151.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1544.226748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.226748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.226748 (E_RNA) where: Base-Base interactions energy: -1069.282 where: short stacking energy: -455.336 Base-Backbone interact. energy: -2.898 local terms energy: -472.046450 where: bonds (distance) C4'-P energy: -81.208 bonds (distance) P-C4' energy: -94.517 flat angles C4'-P-C4' energy: -108.023 flat angles P-C4'-P energy: -64.324 tors. eta vs tors. theta energy: -123.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1491.705811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.705811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.705811 (E_RNA) where: Base-Base interactions energy: -1021.211 where: short stacking energy: -460.332 Base-Backbone interact. energy: -3.111 local terms energy: -467.383617 where: bonds (distance) C4'-P energy: -82.060 bonds (distance) P-C4' energy: -88.275 flat angles C4'-P-C4' energy: -93.809 flat angles P-C4'-P energy: -66.910 tors. eta vs tors. theta energy: -136.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -1300.837371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.837371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.837371 (E_RNA) where: Base-Base interactions energy: -873.771 where: short stacking energy: -376.447 Base-Backbone interact. energy: -0.231 local terms energy: -426.835783 where: bonds (distance) C4'-P energy: -83.275 bonds (distance) P-C4' energy: -91.474 flat angles C4'-P-C4' energy: -79.854 flat angles P-C4'-P energy: -68.606 tors. eta vs tors. theta energy: -103.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1297.900598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.900598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.900598 (E_RNA) where: Base-Base interactions energy: -872.778 where: short stacking energy: -416.804 Base-Backbone interact. energy: -1.871 local terms energy: -423.252007 where: bonds (distance) C4'-P energy: -76.096 bonds (distance) P-C4' energy: -70.425 flat angles C4'-P-C4' energy: -88.818 flat angles P-C4'-P energy: -64.103 tors. eta vs tors. theta energy: -123.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1028.674594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.674594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.674594 (E_RNA) where: Base-Base interactions energy: -659.967 where: short stacking energy: -316.214 Base-Backbone interact. energy: 3.662 local terms energy: -372.369941 where: bonds (distance) C4'-P energy: -78.447 bonds (distance) P-C4' energy: -86.188 flat angles C4'-P-C4' energy: -93.198 flat angles P-C4'-P energy: -54.737 tors. eta vs tors. theta energy: -59.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -833.482523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.482523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.482523 (E_RNA) where: Base-Base interactions energy: -507.311 where: short stacking energy: -248.308 Base-Backbone interact. energy: -1.514 local terms energy: -324.657752 where: bonds (distance) C4'-P energy: -73.209 bonds (distance) P-C4' energy: -76.062 flat angles C4'-P-C4' energy: -77.611 flat angles P-C4'-P energy: -51.951 tors. eta vs tors. theta energy: -45.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -617.759536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.759536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.759536 (E_RNA) where: Base-Base interactions energy: -298.908 where: short stacking energy: -193.266 Base-Backbone interact. energy: -1.541 local terms energy: -317.309801 where: bonds (distance) C4'-P energy: -72.898 bonds (distance) P-C4' energy: -79.043 flat angles C4'-P-C4' energy: -82.016 flat angles P-C4'-P energy: -51.675 tors. eta vs tors. theta energy: -31.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -396.073894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.073894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.073894 (E_RNA) where: Base-Base interactions energy: -152.619 where: short stacking energy: -113.113 Base-Backbone interact. energy: -1.626 local terms energy: -241.828769 where: bonds (distance) C4'-P energy: -66.234 bonds (distance) P-C4' energy: -82.977 flat angles C4'-P-C4' energy: -69.674 flat angles P-C4'-P energy: -40.411 tors. eta vs tors. theta energy: 17.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1731.261084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.261084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.261084 (E_RNA) where: Base-Base interactions energy: -1202.154 where: short stacking energy: -499.678 Base-Backbone interact. energy: -1.098 local terms energy: -528.009536 where: bonds (distance) C4'-P energy: -101.168 bonds (distance) P-C4' energy: -97.949 flat angles C4'-P-C4' energy: -105.700 flat angles P-C4'-P energy: -66.952 tors. eta vs tors. theta energy: -156.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1639.300007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.300007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.300007 (E_RNA) where: Base-Base interactions energy: -1114.157 where: short stacking energy: -493.743 Base-Backbone interact. energy: -2.151 local terms energy: -522.992084 where: bonds (distance) C4'-P energy: -93.722 bonds (distance) P-C4' energy: -90.086 flat angles C4'-P-C4' energy: -102.099 flat angles P-C4'-P energy: -77.797 tors. eta vs tors. theta energy: -159.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1503.095457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.095457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.095457 (E_RNA) where: Base-Base interactions energy: -1037.583 where: short stacking energy: -449.720 Base-Backbone interact. energy: 1.545 local terms energy: -467.057548 where: bonds (distance) C4'-P energy: -87.446 bonds (distance) P-C4' energy: -98.085 flat angles C4'-P-C4' energy: -94.142 flat angles P-C4'-P energy: -63.730 tors. eta vs tors. theta energy: -123.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1470.139127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.139127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.139127 (E_RNA) where: Base-Base interactions energy: -1010.736 where: short stacking energy: -435.817 Base-Backbone interact. energy: -2.272 local terms energy: -457.130961 where: bonds (distance) C4'-P energy: -75.315 bonds (distance) P-C4' energy: -89.049 flat angles C4'-P-C4' energy: -102.670 flat angles P-C4'-P energy: -62.893 tors. eta vs tors. theta energy: -127.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -1384.110977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.110977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.110977 (E_RNA) where: Base-Base interactions energy: -925.242 where: short stacking energy: -421.551 Base-Backbone interact. energy: 0.799 local terms energy: -459.667466 where: bonds (distance) C4'-P energy: -85.106 bonds (distance) P-C4' energy: -93.101 flat angles C4'-P-C4' energy: -98.781 flat angles P-C4'-P energy: -61.075 tors. eta vs tors. theta energy: -121.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1268.820338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.820338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.820338 (E_RNA) where: Base-Base interactions energy: -867.378 where: short stacking energy: -375.017 Base-Backbone interact. energy: -1.664 local terms energy: -399.778659 where: bonds (distance) C4'-P energy: -61.970 bonds (distance) P-C4' energy: -92.853 flat angles C4'-P-C4' energy: -86.213 flat angles P-C4'-P energy: -54.815 tors. eta vs tors. theta energy: -103.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1051.290418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.290418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.290418 (E_RNA) where: Base-Base interactions energy: -681.044 where: short stacking energy: -307.244 Base-Backbone interact. energy: -1.558 local terms energy: -368.688853 where: bonds (distance) C4'-P energy: -78.533 bonds (distance) P-C4' energy: -90.772 flat angles C4'-P-C4' energy: -84.798 flat angles P-C4'-P energy: -53.487 tors. eta vs tors. theta energy: -61.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -834.420921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.420921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.420921 (E_RNA) where: Base-Base interactions energy: -520.872 where: short stacking energy: -249.785 Base-Backbone interact. energy: -0.928 local terms energy: -312.620431 where: bonds (distance) C4'-P energy: -78.991 bonds (distance) P-C4' energy: -80.392 flat angles C4'-P-C4' energy: -69.819 flat angles P-C4'-P energy: -43.738 tors. eta vs tors. theta energy: -39.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -593.003221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.003221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.003221 (E_RNA) where: Base-Base interactions energy: -328.215 where: short stacking energy: -177.335 Base-Backbone interact. energy: -0.359 local terms energy: -264.428860 where: bonds (distance) C4'-P energy: -73.584 bonds (distance) P-C4' energy: -86.091 flat angles C4'-P-C4' energy: -72.625 flat angles P-C4'-P energy: -16.326 tors. eta vs tors. theta energy: -15.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -389.805190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.805190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.805190 (E_RNA) where: Base-Base interactions energy: -134.138 where: short stacking energy: -113.290 Base-Backbone interact. energy: 0.416 local terms energy: -256.083386 where: bonds (distance) C4'-P energy: -80.127 bonds (distance) P-C4' energy: -83.575 flat angles C4'-P-C4' energy: -73.284 flat angles P-C4'-P energy: -34.895 tors. eta vs tors. theta energy: 15.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1710.581340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.581340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.581340 (E_RNA) where: Base-Base interactions energy: -1184.315 where: short stacking energy: -518.064 Base-Backbone interact. energy: -0.686 local terms energy: -525.580931 where: bonds (distance) C4'-P energy: -94.349 bonds (distance) P-C4' energy: -88.456 flat angles C4'-P-C4' energy: -109.825 flat angles P-C4'-P energy: -76.897 tors. eta vs tors. theta energy: -156.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1649.572980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.572980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.572980 (E_RNA) where: Base-Base interactions energy: -1132.414 where: short stacking energy: -498.260 Base-Backbone interact. energy: -1.058 local terms energy: -516.100548 where: bonds (distance) C4'-P energy: -94.469 bonds (distance) P-C4' energy: -97.759 flat angles C4'-P-C4' energy: -102.670 flat angles P-C4'-P energy: -73.549 tors. eta vs tors. theta energy: -147.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1510.808810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.808810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.808810 (E_RNA) where: Base-Base interactions energy: -1023.866 where: short stacking energy: -468.023 Base-Backbone interact. energy: -0.956 local terms energy: -485.987320 where: bonds (distance) C4'-P energy: -101.249 bonds (distance) P-C4' energy: -83.186 flat angles C4'-P-C4' energy: -103.106 flat angles P-C4'-P energy: -63.685 tors. eta vs tors. theta energy: -134.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1428.253902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.253902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.253902 (E_RNA) where: Base-Base interactions energy: -943.337 where: short stacking energy: -440.672 Base-Backbone interact. energy: -1.286 local terms energy: -483.630874 where: bonds (distance) C4'-P energy: -77.786 bonds (distance) P-C4' energy: -91.795 flat angles C4'-P-C4' energy: -105.260 flat angles P-C4'-P energy: -70.711 tors. eta vs tors. theta energy: -138.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1433.377131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.377131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.377131 (E_RNA) where: Base-Base interactions energy: -994.459 where: short stacking energy: -434.758 Base-Backbone interact. energy: -1.209 local terms energy: -437.708850 where: bonds (distance) C4'-P energy: -76.184 bonds (distance) P-C4' energy: -73.988 flat angles C4'-P-C4' energy: -98.933 flat angles P-C4'-P energy: -62.122 tors. eta vs tors. theta energy: -126.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1257.568588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.568588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.568588 (E_RNA) where: Base-Base interactions energy: -853.186 where: short stacking energy: -367.665 Base-Backbone interact. energy: -0.255 local terms energy: -404.127569 where: bonds (distance) C4'-P energy: -80.889 bonds (distance) P-C4' energy: -81.803 flat angles C4'-P-C4' energy: -96.541 flat angles P-C4'-P energy: -46.903 tors. eta vs tors. theta energy: -97.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1035.035537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.035537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.035537 (E_RNA) where: Base-Base interactions energy: -691.072 where: short stacking energy: -291.785 Base-Backbone interact. energy: -1.652 local terms energy: -342.311568 where: bonds (distance) C4'-P energy: -60.725 bonds (distance) P-C4' energy: -93.817 flat angles C4'-P-C4' energy: -73.390 flat angles P-C4'-P energy: -48.716 tors. eta vs tors. theta energy: -65.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -842.082313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.082313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.082313 (E_RNA) where: Base-Base interactions energy: -512.241 where: short stacking energy: -261.371 Base-Backbone interact. energy: -0.965 local terms energy: -328.875915 where: bonds (distance) C4'-P energy: -84.379 bonds (distance) P-C4' energy: -78.910 flat angles C4'-P-C4' energy: -78.393 flat angles P-C4'-P energy: -46.323 tors. eta vs tors. theta energy: -40.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -631.614996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.614996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.614996 (E_RNA) where: Base-Base interactions energy: -332.792 where: short stacking energy: -200.188 Base-Backbone interact. energy: -2.295 local terms energy: -296.527402 where: bonds (distance) C4'-P energy: -72.461 bonds (distance) P-C4' energy: -77.490 flat angles C4'-P-C4' energy: -89.028 flat angles P-C4'-P energy: -47.633 tors. eta vs tors. theta energy: -9.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -405.001674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.001674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.001674 (E_RNA) where: Base-Base interactions energy: -149.747 where: short stacking energy: -102.744 Base-Backbone interact. energy: -0.786 local terms energy: -254.468677 where: bonds (distance) C4'-P energy: -69.476 bonds (distance) P-C4' energy: -81.236 flat angles C4'-P-C4' energy: -72.706 flat angles P-C4'-P energy: -39.485 tors. eta vs tors. theta energy: 8.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1726.423461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.423461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.423461 (E_RNA) where: Base-Base interactions energy: -1187.785 where: short stacking energy: -522.768 Base-Backbone interact. energy: -2.353 local terms energy: -536.285440 where: bonds (distance) C4'-P energy: -93.482 bonds (distance) P-C4' energy: -100.062 flat angles C4'-P-C4' energy: -113.159 flat angles P-C4'-P energy: -69.510 tors. eta vs tors. theta energy: -160.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1639.898260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.898260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.898260 (E_RNA) where: Base-Base interactions energy: -1128.579 where: short stacking energy: -495.624 Base-Backbone interact. energy: 0.319 local terms energy: -511.637818 where: bonds (distance) C4'-P energy: -97.498 bonds (distance) P-C4' energy: -94.370 flat angles C4'-P-C4' energy: -94.672 flat angles P-C4'-P energy: -71.745 tors. eta vs tors. theta energy: -153.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1555.579498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.579498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.579498 (E_RNA) where: Base-Base interactions energy: -1072.316 where: short stacking energy: -479.609 Base-Backbone interact. energy: 0.019 local terms energy: -483.282986 where: bonds (distance) C4'-P energy: -82.117 bonds (distance) P-C4' energy: -88.091 flat angles C4'-P-C4' energy: -103.977 flat angles P-C4'-P energy: -71.711 tors. eta vs tors. theta energy: -137.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1405.323465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.323465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.323465 (E_RNA) where: Base-Base interactions energy: -914.711 where: short stacking energy: -421.156 Base-Backbone interact. energy: -1.684 local terms energy: -488.928853 where: bonds (distance) C4'-P energy: -96.832 bonds (distance) P-C4' energy: -96.201 flat angles C4'-P-C4' energy: -100.504 flat angles P-C4'-P energy: -72.053 tors. eta vs tors. theta energy: -123.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1420.448586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.448586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.448586 (E_RNA) where: Base-Base interactions energy: -969.888 where: short stacking energy: -435.431 Base-Backbone interact. energy: -0.183 local terms energy: -450.377747 where: bonds (distance) C4'-P energy: -81.247 bonds (distance) P-C4' energy: -92.260 flat angles C4'-P-C4' energy: -105.796 flat angles P-C4'-P energy: -50.653 tors. eta vs tors. theta energy: -120.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1296.549455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.549455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.549455 (E_RNA) where: Base-Base interactions energy: -878.079 where: short stacking energy: -383.653 Base-Backbone interact. energy: -2.022 local terms energy: -416.448793 where: bonds (distance) C4'-P energy: -68.668 bonds (distance) P-C4' energy: -84.377 flat angles C4'-P-C4' energy: -90.499 flat angles P-C4'-P energy: -70.284 tors. eta vs tors. theta energy: -102.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1037.047014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.047014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.047014 (E_RNA) where: Base-Base interactions energy: -659.374 where: short stacking energy: -321.955 Base-Backbone interact. energy: -0.552 local terms energy: -377.121411 where: bonds (distance) C4'-P energy: -84.802 bonds (distance) P-C4' energy: -90.706 flat angles C4'-P-C4' energy: -81.934 flat angles P-C4'-P energy: -52.659 tors. eta vs tors. theta energy: -67.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -862.816645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.816645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.816645 (E_RNA) where: Base-Base interactions energy: -522.626 where: short stacking energy: -260.493 Base-Backbone interact. energy: -2.010 local terms energy: -338.181258 where: bonds (distance) C4'-P energy: -80.282 bonds (distance) P-C4' energy: -94.843 flat angles C4'-P-C4' energy: -76.883 flat angles P-C4'-P energy: -39.506 tors. eta vs tors. theta energy: -46.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -610.971463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.971463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.971463 (E_RNA) where: Base-Base interactions energy: -333.594 where: short stacking energy: -177.053 Base-Backbone interact. energy: -2.327 local terms energy: -275.050938 where: bonds (distance) C4'-P energy: -84.242 bonds (distance) P-C4' energy: -64.902 flat angles C4'-P-C4' energy: -65.160 flat angles P-C4'-P energy: -43.065 tors. eta vs tors. theta energy: -17.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -360.678683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.678683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.678683 (E_RNA) where: Base-Base interactions energy: -108.438 where: short stacking energy: -85.783 Base-Backbone interact. energy: -0.571 local terms energy: -251.669990 where: bonds (distance) C4'-P energy: -79.064 bonds (distance) P-C4' energy: -84.921 flat angles C4'-P-C4' energy: -62.141 flat angles P-C4'-P energy: -37.459 tors. eta vs tors. theta energy: 11.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1715.657234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.657234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.657234 (E_RNA) where: Base-Base interactions energy: -1174.918 where: short stacking energy: -514.290 Base-Backbone interact. energy: -0.694 local terms energy: -540.045214 where: bonds (distance) C4'-P energy: -100.874 bonds (distance) P-C4' energy: -96.329 flat angles C4'-P-C4' energy: -111.339 flat angles P-C4'-P energy: -74.402 tors. eta vs tors. theta energy: -157.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1663.388092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.388092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.388092 (E_RNA) where: Base-Base interactions energy: -1150.735 where: short stacking energy: -491.470 Base-Backbone interact. energy: -1.897 local terms energy: -510.755607 where: bonds (distance) C4'-P energy: -94.367 bonds (distance) P-C4' energy: -95.832 flat angles C4'-P-C4' energy: -105.453 flat angles P-C4'-P energy: -73.912 tors. eta vs tors. theta energy: -141.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1516.404718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.404718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.404718 (E_RNA) where: Base-Base interactions energy: -1035.283 where: short stacking energy: -439.984 Base-Backbone interact. energy: -1.280 local terms energy: -479.841195 where: bonds (distance) C4'-P energy: -88.722 bonds (distance) P-C4' energy: -97.400 flat angles C4'-P-C4' energy: -97.709 flat angles P-C4'-P energy: -66.866 tors. eta vs tors. theta energy: -129.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1430.202666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.202666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.202666 (E_RNA) where: Base-Base interactions energy: -987.938 where: short stacking energy: -434.949 Base-Backbone interact. energy: -1.262 local terms energy: -441.001990 where: bonds (distance) C4'-P energy: -77.404 bonds (distance) P-C4' energy: -91.393 flat angles C4'-P-C4' energy: -91.894 flat angles P-C4'-P energy: -61.472 tors. eta vs tors. theta energy: -118.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -1365.041257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.041257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.041257 (E_RNA) where: Base-Base interactions energy: -903.935 where: short stacking energy: -420.850 Base-Backbone interact. energy: -1.183 local terms energy: -459.922526 where: bonds (distance) C4'-P energy: -86.270 bonds (distance) P-C4' energy: -88.922 flat angles C4'-P-C4' energy: -87.006 flat angles P-C4'-P energy: -67.836 tors. eta vs tors. theta energy: -129.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1258.989176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.989176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.989176 (E_RNA) where: Base-Base interactions energy: -843.225 where: short stacking energy: -387.196 Base-Backbone interact. energy: -2.200 local terms energy: -413.563852 where: bonds (distance) C4'-P energy: -72.248 bonds (distance) P-C4' energy: -85.972 flat angles C4'-P-C4' energy: -96.460 flat angles P-C4'-P energy: -49.865 tors. eta vs tors. theta energy: -109.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -965.930742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.930742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.930742 (E_RNA) where: Base-Base interactions energy: -581.801 where: short stacking energy: -264.349 Base-Backbone interact. energy: -4.531 local terms energy: -379.598927 where: bonds (distance) C4'-P energy: -87.424 bonds (distance) P-C4' energy: -83.997 flat angles C4'-P-C4' energy: -82.636 flat angles P-C4'-P energy: -64.922 tors. eta vs tors. theta energy: -60.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -885.890434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.890434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.890434 (E_RNA) where: Base-Base interactions energy: -530.819 where: short stacking energy: -272.045 Base-Backbone interact. energy: -0.091 local terms energy: -354.980003 where: bonds (distance) C4'-P energy: -80.248 bonds (distance) P-C4' energy: -85.066 flat angles C4'-P-C4' energy: -69.778 flat angles P-C4'-P energy: -50.039 tors. eta vs tors. theta energy: -69.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -601.878613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.878613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.878613 (E_RNA) where: Base-Base interactions energy: -314.820 where: short stacking energy: -165.593 Base-Backbone interact. energy: -0.770 local terms energy: -286.288618 where: bonds (distance) C4'-P energy: -80.207 bonds (distance) P-C4' energy: -78.479 flat angles C4'-P-C4' energy: -74.392 flat angles P-C4'-P energy: -43.829 tors. eta vs tors. theta energy: -9.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -382.329935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.329935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.329935 (E_RNA) where: Base-Base interactions energy: -162.112 where: short stacking energy: -92.681 Base-Backbone interact. energy: -1.704 local terms energy: -218.514158 where: bonds (distance) C4'-P energy: -73.160 bonds (distance) P-C4' energy: -75.444 flat angles C4'-P-C4' energy: -57.846 flat angles P-C4'-P energy: -30.578 tors. eta vs tors. theta energy: 18.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1745.801382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.801382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.801382 (E_RNA) where: Base-Base interactions energy: -1206.238 where: short stacking energy: -519.153 Base-Backbone interact. energy: -1.351 local terms energy: -538.212979 where: bonds (distance) C4'-P energy: -91.553 bonds (distance) P-C4' energy: -98.387 flat angles C4'-P-C4' energy: -110.749 flat angles P-C4'-P energy: -76.213 tors. eta vs tors. theta energy: -161.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1634.778376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.778376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.778376 (E_RNA) where: Base-Base interactions energy: -1122.436 where: short stacking energy: -495.725 Base-Backbone interact. energy: -4.349 local terms energy: -507.993154 where: bonds (distance) C4'-P energy: -75.828 bonds (distance) P-C4' energy: -94.588 flat angles C4'-P-C4' energy: -113.196 flat angles P-C4'-P energy: -74.915 tors. eta vs tors. theta energy: -149.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1540.378733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.378733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.378733 (E_RNA) where: Base-Base interactions energy: -1072.782 where: short stacking energy: -467.970 Base-Backbone interact. energy: -0.967 local terms energy: -466.630005 where: bonds (distance) C4'-P energy: -77.559 bonds (distance) P-C4' energy: -91.479 flat angles C4'-P-C4' energy: -101.029 flat angles P-C4'-P energy: -66.551 tors. eta vs tors. theta energy: -130.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1392.188439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.188439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.188439 (E_RNA) where: Base-Base interactions energy: -948.412 where: short stacking energy: -393.070 Base-Backbone interact. energy: 1.787 local terms energy: -445.563757 where: bonds (distance) C4'-P energy: -81.729 bonds (distance) P-C4' energy: -95.525 flat angles C4'-P-C4' energy: -100.706 flat angles P-C4'-P energy: -60.946 tors. eta vs tors. theta energy: -106.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1376.915759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.915759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.915759 (E_RNA) where: Base-Base interactions energy: -937.303 where: short stacking energy: -425.738 Base-Backbone interact. energy: -1.109 local terms energy: -438.503770 where: bonds (distance) C4'-P energy: -76.842 bonds (distance) P-C4' energy: -86.182 flat angles C4'-P-C4' energy: -93.783 flat angles P-C4'-P energy: -60.692 tors. eta vs tors. theta energy: -121.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1340.488330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.488330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.488330 (E_RNA) where: Base-Base interactions energy: -895.153 where: short stacking energy: -411.574 Base-Backbone interact. energy: -0.647 local terms energy: -444.688340 where: bonds (distance) C4'-P energy: -76.242 bonds (distance) P-C4' energy: -80.732 flat angles C4'-P-C4' energy: -96.819 flat angles P-C4'-P energy: -64.682 tors. eta vs tors. theta energy: -126.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1047.525058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.525058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.525058 (E_RNA) where: Base-Base interactions energy: -667.024 where: short stacking energy: -323.887 Base-Backbone interact. energy: 3.086 local terms energy: -383.586618 where: bonds (distance) C4'-P energy: -74.637 bonds (distance) P-C4' energy: -96.800 flat angles C4'-P-C4' energy: -81.011 flat angles P-C4'-P energy: -48.909 tors. eta vs tors. theta energy: -82.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -903.645502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.645502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.645502 (E_RNA) where: Base-Base interactions energy: -598.390 where: short stacking energy: -272.219 Base-Backbone interact. energy: -1.999 local terms energy: -303.256264 where: bonds (distance) C4'-P energy: -79.551 bonds (distance) P-C4' energy: -69.608 flat angles C4'-P-C4' energy: -60.947 flat angles P-C4'-P energy: -38.072 tors. eta vs tors. theta energy: -55.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -572.469895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.469895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.469895 (E_RNA) where: Base-Base interactions energy: -288.925 where: short stacking energy: -162.988 Base-Backbone interact. energy: -0.313 local terms energy: -283.231694 where: bonds (distance) C4'-P energy: -80.212 bonds (distance) P-C4' energy: -85.496 flat angles C4'-P-C4' energy: -80.202 flat angles P-C4'-P energy: -31.567 tors. eta vs tors. theta energy: -5.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -379.871487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -379.871487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -379.871487 (E_RNA) where: Base-Base interactions energy: -121.336 where: short stacking energy: -96.011 Base-Backbone interact. energy: -0.852 local terms energy: -257.683884 where: bonds (distance) C4'-P energy: -69.378 bonds (distance) P-C4' energy: -87.040 flat angles C4'-P-C4' energy: -60.992 flat angles P-C4'-P energy: -50.923 tors. eta vs tors. theta energy: 10.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1725.335577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.335577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.335577 (E_RNA) where: Base-Base interactions energy: -1194.991 where: short stacking energy: -519.170 Base-Backbone interact. energy: 0.555 local terms energy: -530.899480 where: bonds (distance) C4'-P energy: -90.889 bonds (distance) P-C4' energy: -93.456 flat angles C4'-P-C4' energy: -112.443 flat angles P-C4'-P energy: -69.179 tors. eta vs tors. theta energy: -164.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1643.145011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.145011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.145011 (E_RNA) where: Base-Base interactions energy: -1133.252 where: short stacking energy: -487.582 Base-Backbone interact. energy: -1.970 local terms energy: -507.922665 where: bonds (distance) C4'-P energy: -92.955 bonds (distance) P-C4' energy: -89.345 flat angles C4'-P-C4' energy: -113.320 flat angles P-C4'-P energy: -63.146 tors. eta vs tors. theta energy: -149.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1539.008241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.008241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.008241 (E_RNA) where: Base-Base interactions energy: -1084.001 where: short stacking energy: -439.302 Base-Backbone interact. energy: -1.735 local terms energy: -453.271814 where: bonds (distance) C4'-P energy: -83.200 bonds (distance) P-C4' energy: -94.632 flat angles C4'-P-C4' energy: -90.564 flat angles P-C4'-P energy: -60.659 tors. eta vs tors. theta energy: -124.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1414.895862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.895862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.895862 (E_RNA) where: Base-Base interactions energy: -954.812 where: short stacking energy: -428.609 Base-Backbone interact. energy: 1.066 local terms energy: -461.150063 where: bonds (distance) C4'-P energy: -75.348 bonds (distance) P-C4' energy: -95.066 flat angles C4'-P-C4' energy: -102.933 flat angles P-C4'-P energy: -57.308 tors. eta vs tors. theta energy: -130.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1355.859390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.859390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.859390 (E_RNA) where: Base-Base interactions energy: -906.971 where: short stacking energy: -395.639 Base-Backbone interact. energy: -1.631 local terms energy: -447.257018 where: bonds (distance) C4'-P energy: -83.815 bonds (distance) P-C4' energy: -88.996 flat angles C4'-P-C4' energy: -98.611 flat angles P-C4'-P energy: -72.104 tors. eta vs tors. theta energy: -103.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1300.602898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.602898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.602898 (E_RNA) where: Base-Base interactions energy: -867.695 where: short stacking energy: -412.192 Base-Backbone interact. energy: 0.131 local terms energy: -433.039130 where: bonds (distance) C4'-P energy: -71.802 bonds (distance) P-C4' energy: -84.616 flat angles C4'-P-C4' energy: -89.815 flat angles P-C4'-P energy: -62.567 tors. eta vs tors. theta energy: -124.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1033.530644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.530644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.530644 (E_RNA) where: Base-Base interactions energy: -665.657 where: short stacking energy: -302.616 Base-Backbone interact. energy: 2.019 local terms energy: -369.892275 where: bonds (distance) C4'-P energy: -66.473 bonds (distance) P-C4' energy: -87.330 flat angles C4'-P-C4' energy: -84.377 flat angles P-C4'-P energy: -65.201 tors. eta vs tors. theta energy: -66.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -864.917020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.917020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.917020 (E_RNA) where: Base-Base interactions energy: -515.562 where: short stacking energy: -240.140 Base-Backbone interact. energy: -0.772 local terms energy: -348.583095 where: bonds (distance) C4'-P energy: -89.358 bonds (distance) P-C4' energy: -86.040 flat angles C4'-P-C4' energy: -73.459 flat angles P-C4'-P energy: -53.550 tors. eta vs tors. theta energy: -46.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -572.562537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.562537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.562537 (E_RNA) where: Base-Base interactions energy: -291.276 where: short stacking energy: -157.416 Base-Backbone interact. energy: -2.423 local terms energy: -278.863323 where: bonds (distance) C4'-P energy: -87.150 bonds (distance) P-C4' energy: -75.381 flat angles C4'-P-C4' energy: -70.643 flat angles P-C4'-P energy: -33.429 tors. eta vs tors. theta energy: -12.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -353.763952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.763952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.763952 (E_RNA) where: Base-Base interactions energy: -115.012 where: short stacking energy: -102.073 Base-Backbone interact. energy: -1.007 local terms energy: -237.745516 where: bonds (distance) C4'-P energy: -78.597 bonds (distance) P-C4' energy: -77.705 flat angles C4'-P-C4' energy: -58.709 flat angles P-C4'-P energy: -32.289 tors. eta vs tors. theta energy: 9.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1717.176880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.176880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.176880 (E_RNA) where: Base-Base interactions energy: -1176.598 where: short stacking energy: -519.679 Base-Backbone interact. energy: 1.047 local terms energy: -541.625758 where: bonds (distance) C4'-P energy: -91.667 bonds (distance) P-C4' energy: -88.914 flat angles C4'-P-C4' energy: -113.337 flat angles P-C4'-P energy: -80.391 tors. eta vs tors. theta energy: -167.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1638.543718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.543718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.543718 (E_RNA) where: Base-Base interactions energy: -1119.354 where: short stacking energy: -489.645 Base-Backbone interact. energy: -2.099 local terms energy: -517.090562 where: bonds (distance) C4'-P energy: -105.310 bonds (distance) P-C4' energy: -90.639 flat angles C4'-P-C4' energy: -100.395 flat angles P-C4'-P energy: -72.747 tors. eta vs tors. theta energy: -147.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1541.041381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.041381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.041381 (E_RNA) where: Base-Base interactions energy: -1060.117 where: short stacking energy: -443.183 Base-Backbone interact. energy: -4.269 local terms energy: -476.655126 where: bonds (distance) C4'-P energy: -97.215 bonds (distance) P-C4' energy: -91.047 flat angles C4'-P-C4' energy: -89.745 flat angles P-C4'-P energy: -73.749 tors. eta vs tors. theta energy: -124.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1416.119087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.119087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.119087 (E_RNA) where: Base-Base interactions energy: -948.700 where: short stacking energy: -420.302 Base-Backbone interact. energy: -0.235 local terms energy: -467.184535 where: bonds (distance) C4'-P energy: -83.144 bonds (distance) P-C4' energy: -89.955 flat angles C4'-P-C4' energy: -102.466 flat angles P-C4'-P energy: -65.894 tors. eta vs tors. theta energy: -125.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -1335.861326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.861326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.861326 (E_RNA) where: Base-Base interactions energy: -889.279 where: short stacking energy: -406.650 Base-Backbone interact. energy: -1.718 local terms energy: -444.863726 where: bonds (distance) C4'-P energy: -90.005 bonds (distance) P-C4' energy: -83.872 flat angles C4'-P-C4' energy: -87.115 flat angles P-C4'-P energy: -65.817 tors. eta vs tors. theta energy: -118.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1246.081231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.081231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.081231 (E_RNA) where: Base-Base interactions energy: -843.068 where: short stacking energy: -382.848 Base-Backbone interact. energy: -3.929 local terms energy: -399.084729 where: bonds (distance) C4'-P energy: -63.487 bonds (distance) P-C4' energy: -85.791 flat angles C4'-P-C4' energy: -78.478 flat angles P-C4'-P energy: -62.330 tors. eta vs tors. theta energy: -108.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -977.582289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.582289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.582289 (E_RNA) where: Base-Base interactions energy: -605.231 where: short stacking energy: -270.055 Base-Backbone interact. energy: -2.146 local terms energy: -370.205514 where: bonds (distance) C4'-P energy: -65.276 bonds (distance) P-C4' energy: -91.666 flat angles C4'-P-C4' energy: -93.059 flat angles P-C4'-P energy: -60.662 tors. eta vs tors. theta energy: -59.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -940.659544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.659544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.659544 (E_RNA) where: Base-Base interactions energy: -568.508 where: short stacking energy: -264.517 Base-Backbone interact. energy: -0.869 local terms energy: -371.282176 where: bonds (distance) C4'-P energy: -71.362 bonds (distance) P-C4' energy: -86.591 flat angles C4'-P-C4' energy: -92.346 flat angles P-C4'-P energy: -66.151 tors. eta vs tors. theta energy: -54.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -598.231264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.231264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.231264 (E_RNA) where: Base-Base interactions energy: -312.747 where: short stacking energy: -169.414 Base-Backbone interact. energy: 0.561 local terms energy: -286.044539 where: bonds (distance) C4'-P energy: -71.426 bonds (distance) P-C4' energy: -85.012 flat angles C4'-P-C4' energy: -81.806 flat angles P-C4'-P energy: -42.817 tors. eta vs tors. theta energy: -4.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -393.839466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.839466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.839466 (E_RNA) where: Base-Base interactions energy: -138.845 where: short stacking energy: -114.921 Base-Backbone interact. energy: -0.085 local terms energy: -254.909464 where: bonds (distance) C4'-P energy: -80.457 bonds (distance) P-C4' energy: -75.843 flat angles C4'-P-C4' energy: -63.759 flat angles P-C4'-P energy: -40.218 tors. eta vs tors. theta energy: 5.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1747.451425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.451425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.451425 (E_RNA) where: Base-Base interactions energy: -1216.040 where: short stacking energy: -547.452 Base-Backbone interact. energy: -0.185 local terms energy: -531.226950 where: bonds (distance) C4'-P energy: -92.656 bonds (distance) P-C4' energy: -87.095 flat angles C4'-P-C4' energy: -118.029 flat angles P-C4'-P energy: -73.370 tors. eta vs tors. theta energy: -160.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1636.558969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.558969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.558969 (E_RNA) where: Base-Base interactions energy: -1143.400 where: short stacking energy: -496.616 Base-Backbone interact. energy: -3.424 local terms energy: -489.735002 where: bonds (distance) C4'-P energy: -89.666 bonds (distance) P-C4' energy: -77.241 flat angles C4'-P-C4' energy: -91.911 flat angles P-C4'-P energy: -73.654 tors. eta vs tors. theta energy: -157.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1553.041445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.041445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.041445 (E_RNA) where: Base-Base interactions energy: -1076.038 where: short stacking energy: -476.751 Base-Backbone interact. energy: -1.962 local terms energy: -475.042081 where: bonds (distance) C4'-P energy: -82.775 bonds (distance) P-C4' energy: -79.539 flat angles C4'-P-C4' energy: -104.356 flat angles P-C4'-P energy: -77.962 tors. eta vs tors. theta energy: -130.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1409.518299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.518299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.518299 (E_RNA) where: Base-Base interactions energy: -957.652 where: short stacking energy: -433.348 Base-Backbone interact. energy: -1.918 local terms energy: -449.948335 where: bonds (distance) C4'-P energy: -82.261 bonds (distance) P-C4' energy: -78.947 flat angles C4'-P-C4' energy: -94.367 flat angles P-C4'-P energy: -60.236 tors. eta vs tors. theta energy: -134.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1395.669438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.669438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.669438 (E_RNA) where: Base-Base interactions energy: -948.793 where: short stacking energy: -401.090 Base-Backbone interact. energy: -1.697 local terms energy: -445.179869 where: bonds (distance) C4'-P energy: -76.358 bonds (distance) P-C4' energy: -97.264 flat angles C4'-P-C4' energy: -93.020 flat angles P-C4'-P energy: -65.606 tors. eta vs tors. theta energy: -112.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1210.175428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.175428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.175428 (E_RNA) where: Base-Base interactions energy: -784.898 where: short stacking energy: -354.914 Base-Backbone interact. energy: 1.265 local terms energy: -426.542679 where: bonds (distance) C4'-P energy: -85.944 bonds (distance) P-C4' energy: -91.863 flat angles C4'-P-C4' energy: -100.443 flat angles P-C4'-P energy: -58.946 tors. eta vs tors. theta energy: -89.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1005.590832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.590832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.590832 (E_RNA) where: Base-Base interactions energy: -640.779 where: short stacking energy: -297.444 Base-Backbone interact. energy: -1.022 local terms energy: -363.789692 where: bonds (distance) C4'-P energy: -75.245 bonds (distance) P-C4' energy: -92.827 flat angles C4'-P-C4' energy: -80.037 flat angles P-C4'-P energy: -46.903 tors. eta vs tors. theta energy: -68.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -928.824387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.824387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.824387 (E_RNA) where: Base-Base interactions energy: -575.610 where: short stacking energy: -273.874 Base-Backbone interact. energy: -2.318 local terms energy: -350.896029 where: bonds (distance) C4'-P energy: -85.739 bonds (distance) P-C4' energy: -64.836 flat angles C4'-P-C4' energy: -92.198 flat angles P-C4'-P energy: -46.934 tors. eta vs tors. theta energy: -61.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -510.680978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.680978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.680978 (E_RNA) where: Base-Base interactions energy: -247.419 where: short stacking energy: -150.994 Base-Backbone interact. energy: -1.513 local terms energy: -261.749072 where: bonds (distance) C4'-P energy: -68.698 bonds (distance) P-C4' energy: -71.373 flat angles C4'-P-C4' energy: -64.593 flat angles P-C4'-P energy: -53.793 tors. eta vs tors. theta energy: -3.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -391.239574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.239574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.239574 (E_RNA) where: Base-Base interactions energy: -150.013 where: short stacking energy: -119.338 Base-Backbone interact. energy: 0.987 local terms energy: -242.214030 where: bonds (distance) C4'-P energy: -76.358 bonds (distance) P-C4' energy: -65.787 flat angles C4'-P-C4' energy: -61.639 flat angles P-C4'-P energy: -48.721 tors. eta vs tors. theta energy: 10.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1712.238317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.238317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.238317 (E_RNA) where: Base-Base interactions energy: -1176.187 where: short stacking energy: -511.063 Base-Backbone interact. energy: -0.084 local terms energy: -535.967645 where: bonds (distance) C4'-P energy: -91.338 bonds (distance) P-C4' energy: -97.499 flat angles C4'-P-C4' energy: -111.190 flat angles P-C4'-P energy: -73.480 tors. eta vs tors. theta energy: -162.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1632.776913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.776913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.776913 (E_RNA) where: Base-Base interactions energy: -1103.783 where: short stacking energy: -477.653 Base-Backbone interact. energy: -2.607 local terms energy: -526.387167 where: bonds (distance) C4'-P energy: -98.384 bonds (distance) P-C4' energy: -91.519 flat angles C4'-P-C4' energy: -107.379 flat angles P-C4'-P energy: -74.662 tors. eta vs tors. theta energy: -154.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1533.692250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.692250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.692250 (E_RNA) where: Base-Base interactions energy: -1048.982 where: short stacking energy: -443.443 Base-Backbone interact. energy: -2.252 local terms energy: -482.457987 where: bonds (distance) C4'-P energy: -94.796 bonds (distance) P-C4' energy: -92.211 flat angles C4'-P-C4' energy: -105.404 flat angles P-C4'-P energy: -64.424 tors. eta vs tors. theta energy: -125.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1425.440146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.440146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.440146 (E_RNA) where: Base-Base interactions energy: -967.248 where: short stacking energy: -459.625 Base-Backbone interact. energy: -0.556 local terms energy: -457.635712 where: bonds (distance) C4'-P energy: -87.602 bonds (distance) P-C4' energy: -78.904 flat angles C4'-P-C4' energy: -94.498 flat angles P-C4'-P energy: -63.257 tors. eta vs tors. theta energy: -133.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1383.792432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.792432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.792432 (E_RNA) where: Base-Base interactions energy: -941.094 where: short stacking energy: -407.107 Base-Backbone interact. energy: -1.544 local terms energy: -441.153702 where: bonds (distance) C4'-P energy: -62.467 bonds (distance) P-C4' energy: -81.442 flat angles C4'-P-C4' energy: -106.630 flat angles P-C4'-P energy: -71.755 tors. eta vs tors. theta energy: -118.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1205.872794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.872794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.872794 (E_RNA) where: Base-Base interactions energy: -790.284 where: short stacking energy: -346.998 Base-Backbone interact. energy: 0.225 local terms energy: -415.813819 where: bonds (distance) C4'-P energy: -95.362 bonds (distance) P-C4' energy: -79.303 flat angles C4'-P-C4' energy: -95.226 flat angles P-C4'-P energy: -52.270 tors. eta vs tors. theta energy: -93.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1033.060191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.060191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.060191 (E_RNA) where: Base-Base interactions energy: -631.199 where: short stacking energy: -294.649 Base-Backbone interact. energy: -0.637 local terms energy: -401.224640 where: bonds (distance) C4'-P energy: -83.308 bonds (distance) P-C4' energy: -75.704 flat angles C4'-P-C4' energy: -101.927 flat angles P-C4'-P energy: -58.490 tors. eta vs tors. theta energy: -81.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -883.387353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.387353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.387353 (E_RNA) where: Base-Base interactions energy: -553.316 where: short stacking energy: -279.122 Base-Backbone interact. energy: -1.859 local terms energy: -328.212448 where: bonds (distance) C4'-P energy: -78.069 bonds (distance) P-C4' energy: -70.960 flat angles C4'-P-C4' energy: -79.191 flat angles P-C4'-P energy: -46.178 tors. eta vs tors. theta energy: -53.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -506.939491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.939491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.939491 (E_RNA) where: Base-Base interactions energy: -251.578 where: short stacking energy: -159.750 Base-Backbone interact. energy: -1.247 local terms energy: -254.114278 where: bonds (distance) C4'-P energy: -51.533 bonds (distance) P-C4' energy: -81.974 flat angles C4'-P-C4' energy: -70.891 flat angles P-C4'-P energy: -43.786 tors. eta vs tors. theta energy: -5.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -386.531995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.531995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.531995 (E_RNA) where: Base-Base interactions energy: -150.953 where: short stacking energy: -136.769 Base-Backbone interact. energy: 2.283 local terms energy: -237.862038 where: bonds (distance) C4'-P energy: -80.199 bonds (distance) P-C4' energy: -76.922 flat angles C4'-P-C4' energy: -50.631 flat angles P-C4'-P energy: -35.119 tors. eta vs tors. theta energy: 5.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1732.033145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.033145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.033145 (E_RNA) where: Base-Base interactions energy: -1180.371 where: short stacking energy: -517.425 Base-Backbone interact. energy: -2.658 local terms energy: -549.003325 where: bonds (distance) C4'-P energy: -99.918 bonds (distance) P-C4' energy: -101.426 flat angles C4'-P-C4' energy: -107.047 flat angles P-C4'-P energy: -74.399 tors. eta vs tors. theta energy: -166.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1634.454302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.454302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.454302 (E_RNA) where: Base-Base interactions energy: -1109.572 where: short stacking energy: -495.451 Base-Backbone interact. energy: 0.418 local terms energy: -525.299952 where: bonds (distance) C4'-P energy: -85.058 bonds (distance) P-C4' energy: -87.455 flat angles C4'-P-C4' energy: -116.074 flat angles P-C4'-P energy: -80.535 tors. eta vs tors. theta energy: -156.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1535.385458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.385458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.385458 (E_RNA) where: Base-Base interactions energy: -1059.466 where: short stacking energy: -450.884 Base-Backbone interact. energy: 0.928 local terms energy: -476.847010 where: bonds (distance) C4'-P energy: -88.389 bonds (distance) P-C4' energy: -85.796 flat angles C4'-P-C4' energy: -109.214 flat angles P-C4'-P energy: -74.268 tors. eta vs tors. theta energy: -119.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1436.135947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.135947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.135947 (E_RNA) where: Base-Base interactions energy: -967.506 where: short stacking energy: -437.628 Base-Backbone interact. energy: -3.256 local terms energy: -465.373696 where: bonds (distance) C4'-P energy: -90.039 bonds (distance) P-C4' energy: -88.402 flat angles C4'-P-C4' energy: -99.655 flat angles P-C4'-P energy: -54.282 tors. eta vs tors. theta energy: -132.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1399.265114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.265114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.265114 (E_RNA) where: Base-Base interactions energy: -952.166 where: short stacking energy: -409.284 Base-Backbone interact. energy: -0.897 local terms energy: -446.201874 where: bonds (distance) C4'-P energy: -88.311 bonds (distance) P-C4' energy: -85.912 flat angles C4'-P-C4' energy: -93.216 flat angles P-C4'-P energy: -61.599 tors. eta vs tors. theta energy: -117.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1224.146751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.146751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.146751 (E_RNA) where: Base-Base interactions energy: -807.656 where: short stacking energy: -361.175 Base-Backbone interact. energy: -1.569 local terms energy: -414.922154 where: bonds (distance) C4'-P energy: -93.638 bonds (distance) P-C4' energy: -82.779 flat angles C4'-P-C4' energy: -90.541 flat angles P-C4'-P energy: -52.355 tors. eta vs tors. theta energy: -95.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1035.523428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.523428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.523428 (E_RNA) where: Base-Base interactions energy: -650.829 where: short stacking energy: -321.885 Base-Backbone interact. energy: -1.288 local terms energy: -383.406435 where: bonds (distance) C4'-P energy: -77.910 bonds (distance) P-C4' energy: -83.035 flat angles C4'-P-C4' energy: -81.325 flat angles P-C4'-P energy: -60.175 tors. eta vs tors. theta energy: -80.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -894.201391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.201391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.201391 (E_RNA) where: Base-Base interactions energy: -541.662 where: short stacking energy: -256.353 Base-Backbone interact. energy: -1.179 local terms energy: -351.361002 where: bonds (distance) C4'-P energy: -85.040 bonds (distance) P-C4' energy: -91.133 flat angles C4'-P-C4' energy: -88.241 flat angles P-C4'-P energy: -46.534 tors. eta vs tors. theta energy: -40.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -543.774694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.774694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.774694 (E_RNA) where: Base-Base interactions energy: -264.678 where: short stacking energy: -156.760 Base-Backbone interact. energy: 3.643 local terms energy: -282.739293 where: bonds (distance) C4'-P energy: -71.585 bonds (distance) P-C4' energy: -80.995 flat angles C4'-P-C4' energy: -72.031 flat angles P-C4'-P energy: -42.732 tors. eta vs tors. theta energy: -15.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -380.134112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -380.134112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -380.134112 (E_RNA) where: Base-Base interactions energy: -117.702 where: short stacking energy: -97.826 Base-Backbone interact. energy: 0.350 local terms energy: -262.782099 where: bonds (distance) C4'-P energy: -80.666 bonds (distance) P-C4' energy: -86.620 flat angles C4'-P-C4' energy: -66.771 flat angles P-C4'-P energy: -36.995 tors. eta vs tors. theta energy: 8.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1716.656133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.656133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.656133 (E_RNA) where: Base-Base interactions energy: -1177.137 where: short stacking energy: -529.852 Base-Backbone interact. energy: -1.627 local terms energy: -537.891360 where: bonds (distance) C4'-P energy: -92.786 bonds (distance) P-C4' energy: -95.757 flat angles C4'-P-C4' energy: -110.579 flat angles P-C4'-P energy: -75.126 tors. eta vs tors. theta energy: -163.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1624.499200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.499200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.499200 (E_RNA) where: Base-Base interactions energy: -1110.075 where: short stacking energy: -501.222 Base-Backbone interact. energy: -2.425 local terms energy: -511.998455 where: bonds (distance) C4'-P energy: -92.170 bonds (distance) P-C4' energy: -93.461 flat angles C4'-P-C4' energy: -103.377 flat angles P-C4'-P energy: -72.059 tors. eta vs tors. theta energy: -150.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1523.038590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.038590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.038590 (E_RNA) where: Base-Base interactions energy: -1064.347 where: short stacking energy: -449.588 Base-Backbone interact. energy: -6.563 local terms energy: -452.128974 where: bonds (distance) C4'-P energy: -79.466 bonds (distance) P-C4' energy: -78.454 flat angles C4'-P-C4' energy: -103.042 flat angles P-C4'-P energy: -67.163 tors. eta vs tors. theta energy: -124.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1419.863497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.863497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.863497 (E_RNA) where: Base-Base interactions energy: -950.280 where: short stacking energy: -425.830 Base-Backbone interact. energy: -1.186 local terms energy: -468.397271 where: bonds (distance) C4'-P energy: -79.274 bonds (distance) P-C4' energy: -79.816 flat angles C4'-P-C4' energy: -109.682 flat angles P-C4'-P energy: -61.845 tors. eta vs tors. theta energy: -137.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -1380.855613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.855613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.855613 (E_RNA) where: Base-Base interactions energy: -940.147 where: short stacking energy: -415.146 Base-Backbone interact. energy: -2.460 local terms energy: -438.247889 where: bonds (distance) C4'-P energy: -77.599 bonds (distance) P-C4' energy: -75.611 flat angles C4'-P-C4' energy: -97.954 flat angles P-C4'-P energy: -70.054 tors. eta vs tors. theta energy: -117.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1267.928054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.928054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.928054 (E_RNA) where: Base-Base interactions energy: -831.773 where: short stacking energy: -371.818 Base-Backbone interact. energy: -1.428 local terms energy: -434.727022 where: bonds (distance) C4'-P energy: -80.561 bonds (distance) P-C4' energy: -95.549 flat angles C4'-P-C4' energy: -90.335 flat angles P-C4'-P energy: -56.578 tors. eta vs tors. theta energy: -111.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1019.020406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.020406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.020406 (E_RNA) where: Base-Base interactions energy: -659.638 where: short stacking energy: -333.500 Base-Backbone interact. energy: -1.381 local terms energy: -358.001848 where: bonds (distance) C4'-P energy: -79.523 bonds (distance) P-C4' energy: -78.043 flat angles C4'-P-C4' energy: -82.319 flat angles P-C4'-P energy: -40.861 tors. eta vs tors. theta energy: -77.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -924.705321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.705321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.705321 (E_RNA) where: Base-Base interactions energy: -570.498 where: short stacking energy: -265.282 Base-Backbone interact. energy: -1.329 local terms energy: -352.878732 where: bonds (distance) C4'-P energy: -65.855 bonds (distance) P-C4' energy: -67.524 flat angles C4'-P-C4' energy: -98.798 flat angles P-C4'-P energy: -52.239 tors. eta vs tors. theta energy: -68.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -473.032836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.032836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.032836 (E_RNA) where: Base-Base interactions energy: -188.154 where: short stacking energy: -140.698 Base-Backbone interact. energy: -0.570 local terms energy: -284.309231 where: bonds (distance) C4'-P energy: -88.550 bonds (distance) P-C4' energy: -84.591 flat angles C4'-P-C4' energy: -67.302 flat angles P-C4'-P energy: -44.803 tors. eta vs tors. theta energy: 0.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -498.669853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.669853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.669853 (E_RNA) where: Base-Base interactions energy: -241.206 where: short stacking energy: -137.052 Base-Backbone interact. energy: 0.123 local terms energy: -257.586095 where: bonds (distance) C4'-P energy: -71.587 bonds (distance) P-C4' energy: -86.305 flat angles C4'-P-C4' energy: -56.459 flat angles P-C4'-P energy: -49.803 tors. eta vs tors. theta energy: 6.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1710.172195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.172195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.172195 (E_RNA) where: Base-Base interactions energy: -1186.550 where: short stacking energy: -526.387 Base-Backbone interact. energy: -1.745 local terms energy: -521.876877 where: bonds (distance) C4'-P energy: -84.892 bonds (distance) P-C4' energy: -88.829 flat angles C4'-P-C4' energy: -105.572 flat angles P-C4'-P energy: -73.047 tors. eta vs tors. theta energy: -169.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1645.604749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.604749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.604749 (E_RNA) where: Base-Base interactions energy: -1126.652 where: short stacking energy: -498.060 Base-Backbone interact. energy: -2.520 local terms energy: -516.433055 where: bonds (distance) C4'-P energy: -91.504 bonds (distance) P-C4' energy: -101.501 flat angles C4'-P-C4' energy: -102.568 flat angles P-C4'-P energy: -72.907 tors. eta vs tors. theta energy: -147.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1556.087138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.087138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.087138 (E_RNA) where: Base-Base interactions energy: -1067.169 where: short stacking energy: -460.046 Base-Backbone interact. energy: -1.047 local terms energy: -487.871186 where: bonds (distance) C4'-P energy: -83.109 bonds (distance) P-C4' energy: -94.080 flat angles C4'-P-C4' energy: -101.482 flat angles P-C4'-P energy: -78.571 tors. eta vs tors. theta energy: -130.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1410.936455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.936455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.936455 (E_RNA) where: Base-Base interactions energy: -967.835 where: short stacking energy: -431.742 Base-Backbone interact. energy: -0.486 local terms energy: -442.615989 where: bonds (distance) C4'-P energy: -66.334 bonds (distance) P-C4' energy: -75.498 flat angles C4'-P-C4' energy: -114.231 flat angles P-C4'-P energy: -70.295 tors. eta vs tors. theta energy: -116.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1405.379089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.379089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.379089 (E_RNA) where: Base-Base interactions energy: -956.115 where: short stacking energy: -436.541 Base-Backbone interact. energy: 0.349 local terms energy: -449.613209 where: bonds (distance) C4'-P energy: -80.333 bonds (distance) P-C4' energy: -80.780 flat angles C4'-P-C4' energy: -93.465 flat angles P-C4'-P energy: -67.419 tors. eta vs tors. theta energy: -127.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1264.439473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.439473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.439473 (E_RNA) where: Base-Base interactions energy: -854.037 where: short stacking energy: -403.082 Base-Backbone interact. energy: -0.947 local terms energy: -409.455459 where: bonds (distance) C4'-P energy: -65.521 bonds (distance) P-C4' energy: -86.017 flat angles C4'-P-C4' energy: -86.638 flat angles P-C4'-P energy: -62.466 tors. eta vs tors. theta energy: -108.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -964.199652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.199652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.199652 (E_RNA) where: Base-Base interactions energy: -594.232 where: short stacking energy: -291.391 Base-Backbone interact. energy: -2.710 local terms energy: -367.257318 where: bonds (distance) C4'-P energy: -65.496 bonds (distance) P-C4' energy: -97.561 flat angles C4'-P-C4' energy: -78.722 flat angles P-C4'-P energy: -55.205 tors. eta vs tors. theta energy: -70.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -910.116387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.116387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.116387 (E_RNA) where: Base-Base interactions energy: -551.151 where: short stacking energy: -266.543 Base-Backbone interact. energy: -1.767 local terms energy: -357.198770 where: bonds (distance) C4'-P energy: -72.197 bonds (distance) P-C4' energy: -92.484 flat angles C4'-P-C4' energy: -71.357 flat angles P-C4'-P energy: -61.440 tors. eta vs tors. theta energy: -59.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -466.397953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.397953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.397953 (E_RNA) where: Base-Base interactions energy: -215.535 where: short stacking energy: -137.522 Base-Backbone interact. energy: -1.381 local terms energy: -249.481547 where: bonds (distance) C4'-P energy: -74.364 bonds (distance) P-C4' energy: -79.760 flat angles C4'-P-C4' energy: -49.341 flat angles P-C4'-P energy: -41.689 tors. eta vs tors. theta energy: -4.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -494.566629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.566629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.566629 (E_RNA) where: Base-Base interactions energy: -251.244 where: short stacking energy: -150.823 Base-Backbone interact. energy: -1.496 local terms energy: -241.826601 where: bonds (distance) C4'-P energy: -72.334 bonds (distance) P-C4' energy: -77.909 flat angles C4'-P-C4' energy: -70.379 flat angles P-C4'-P energy: -21.999 tors. eta vs tors. theta energy: 0.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1717.115596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.115596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.115596 (E_RNA) where: Base-Base interactions energy: -1169.903 where: short stacking energy: -520.820 Base-Backbone interact. energy: -0.777 local terms energy: -546.434987 where: bonds (distance) C4'-P energy: -93.987 bonds (distance) P-C4' energy: -90.641 flat angles C4'-P-C4' energy: -115.635 flat angles P-C4'-P energy: -77.431 tors. eta vs tors. theta energy: -168.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1641.415639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.415639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.415639 (E_RNA) where: Base-Base interactions energy: -1126.291 where: short stacking energy: -485.979 Base-Backbone interact. energy: 0.038 local terms energy: -515.163062 where: bonds (distance) C4'-P energy: -101.288 bonds (distance) P-C4' energy: -96.890 flat angles C4'-P-C4' energy: -99.454 flat angles P-C4'-P energy: -74.690 tors. eta vs tors. theta energy: -142.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1544.249798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.249798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.249798 (E_RNA) where: Base-Base interactions energy: -1081.480 where: short stacking energy: -470.451 Base-Backbone interact. energy: -0.821 local terms energy: -461.949246 where: bonds (distance) C4'-P energy: -81.857 bonds (distance) P-C4' energy: -90.696 flat angles C4'-P-C4' energy: -101.988 flat angles P-C4'-P energy: -69.798 tors. eta vs tors. theta energy: -117.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1429.425213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.425213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.425213 (E_RNA) where: Base-Base interactions energy: -971.827 where: short stacking energy: -420.312 Base-Backbone interact. energy: 1.387 local terms energy: -458.984357 where: bonds (distance) C4'-P energy: -85.631 bonds (distance) P-C4' energy: -88.182 flat angles C4'-P-C4' energy: -103.346 flat angles P-C4'-P energy: -60.572 tors. eta vs tors. theta energy: -121.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1381.318490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.318490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.318490 (E_RNA) where: Base-Base interactions energy: -944.853 where: short stacking energy: -422.992 Base-Backbone interact. energy: -1.796 local terms energy: -434.669634 where: bonds (distance) C4'-P energy: -67.129 bonds (distance) P-C4' energy: -79.503 flat angles C4'-P-C4' energy: -98.856 flat angles P-C4'-P energy: -60.687 tors. eta vs tors. theta energy: -128.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1299.976590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.976590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.976590 (E_RNA) where: Base-Base interactions energy: -870.777 where: short stacking energy: -392.523 Base-Backbone interact. energy: -0.519 local terms energy: -428.681217 where: bonds (distance) C4'-P energy: -73.593 bonds (distance) P-C4' energy: -84.124 flat angles C4'-P-C4' energy: -102.881 flat angles P-C4'-P energy: -60.038 tors. eta vs tors. theta energy: -108.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -979.341924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.341924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.341924 (E_RNA) where: Base-Base interactions energy: -606.443 where: short stacking energy: -277.625 Base-Backbone interact. energy: -0.659 local terms energy: -372.239682 where: bonds (distance) C4'-P energy: -94.298 bonds (distance) P-C4' energy: -77.146 flat angles C4'-P-C4' energy: -79.760 flat angles P-C4'-P energy: -60.504 tors. eta vs tors. theta energy: -60.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -869.531101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.531101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.531101 (E_RNA) where: Base-Base interactions energy: -539.884 where: short stacking energy: -269.435 Base-Backbone interact. energy: -2.740 local terms energy: -326.906472 where: bonds (distance) C4'-P energy: -77.182 bonds (distance) P-C4' energy: -80.458 flat angles C4'-P-C4' energy: -72.882 flat angles P-C4'-P energy: -53.811 tors. eta vs tors. theta energy: -42.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -573.267053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.267053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.267053 (E_RNA) where: Base-Base interactions energy: -291.163 where: short stacking energy: -175.530 Base-Backbone interact. energy: -1.348 local terms energy: -280.755714 where: bonds (distance) C4'-P energy: -72.057 bonds (distance) P-C4' energy: -79.080 flat angles C4'-P-C4' energy: -70.749 flat angles P-C4'-P energy: -47.410 tors. eta vs tors. theta energy: -11.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -403.202056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.202056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.202056 (E_RNA) where: Base-Base interactions energy: -139.394 where: short stacking energy: -119.216 Base-Backbone interact. energy: -0.636 local terms energy: -263.171760 where: bonds (distance) C4'-P energy: -75.296 bonds (distance) P-C4' energy: -83.736 flat angles C4'-P-C4' energy: -66.843 flat angles P-C4'-P energy: -48.791 tors. eta vs tors. theta energy: 11.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1715.192054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.192054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.192054 (E_RNA) where: Base-Base interactions energy: -1158.066 where: short stacking energy: -518.296 Base-Backbone interact. energy: -1.518 local terms energy: -555.607713 where: bonds (distance) C4'-P energy: -102.569 bonds (distance) P-C4' energy: -94.559 flat angles C4'-P-C4' energy: -115.844 flat angles P-C4'-P energy: -78.473 tors. eta vs tors. theta energy: -164.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1661.687748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.687748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.687748 (E_RNA) where: Base-Base interactions energy: -1151.896 where: short stacking energy: -493.169 Base-Backbone interact. energy: -1.783 local terms energy: -508.008988 where: bonds (distance) C4'-P energy: -94.666 bonds (distance) P-C4' energy: -87.826 flat angles C4'-P-C4' energy: -111.039 flat angles P-C4'-P energy: -80.778 tors. eta vs tors. theta energy: -133.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1548.909849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.909849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.909849 (E_RNA) where: Base-Base interactions energy: -1075.632 where: short stacking energy: -467.750 Base-Backbone interact. energy: -1.826 local terms energy: -471.451419 where: bonds (distance) C4'-P energy: -90.056 bonds (distance) P-C4' energy: -81.320 flat angles C4'-P-C4' energy: -88.873 flat angles P-C4'-P energy: -83.755 tors. eta vs tors. theta energy: -127.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1416.182154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.182154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.182154 (E_RNA) where: Base-Base interactions energy: -945.551 where: short stacking energy: -438.958 Base-Backbone interact. energy: -1.408 local terms energy: -469.223122 where: bonds (distance) C4'-P energy: -80.672 bonds (distance) P-C4' energy: -93.870 flat angles C4'-P-C4' energy: -95.773 flat angles P-C4'-P energy: -61.707 tors. eta vs tors. theta energy: -137.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1402.747065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.747065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.747065 (E_RNA) where: Base-Base interactions energy: -955.101 where: short stacking energy: -441.703 Base-Backbone interact. energy: -1.005 local terms energy: -446.640753 where: bonds (distance) C4'-P energy: -76.688 bonds (distance) P-C4' energy: -85.417 flat angles C4'-P-C4' energy: -100.064 flat angles P-C4'-P energy: -62.563 tors. eta vs tors. theta energy: -121.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1271.085503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.085503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.085503 (E_RNA) where: Base-Base interactions energy: -846.815 where: short stacking energy: -387.763 Base-Backbone interact. energy: -2.155 local terms energy: -422.115377 where: bonds (distance) C4'-P energy: -79.449 bonds (distance) P-C4' energy: -65.295 flat angles C4'-P-C4' energy: -99.456 flat angles P-C4'-P energy: -66.616 tors. eta vs tors. theta energy: -111.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -991.669722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.669722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.669722 (E_RNA) where: Base-Base interactions energy: -653.856 where: short stacking energy: -290.202 Base-Backbone interact. energy: -0.437 local terms energy: -337.376943 where: bonds (distance) C4'-P energy: -73.159 bonds (distance) P-C4' energy: -76.933 flat angles C4'-P-C4' energy: -80.223 flat angles P-C4'-P energy: -43.988 tors. eta vs tors. theta energy: -63.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -860.058027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.058027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.058027 (E_RNA) where: Base-Base interactions energy: -534.627 where: short stacking energy: -257.571 Base-Backbone interact. energy: -2.092 local terms energy: -323.338894 where: bonds (distance) C4'-P energy: -77.939 bonds (distance) P-C4' energy: -72.746 flat angles C4'-P-C4' energy: -84.085 flat angles P-C4'-P energy: -42.695 tors. eta vs tors. theta energy: -45.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -553.005771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.005771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.005771 (E_RNA) where: Base-Base interactions energy: -310.177 where: short stacking energy: -181.920 Base-Backbone interact. energy: -1.365 local terms energy: -241.463990 where: bonds (distance) C4'-P energy: -78.245 bonds (distance) P-C4' energy: -65.478 flat angles C4'-P-C4' energy: -51.545 flat angles P-C4'-P energy: -31.501 tors. eta vs tors. theta energy: -14.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -386.458167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.458167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.458167 (E_RNA) where: Base-Base interactions energy: -140.927 where: short stacking energy: -104.740 Base-Backbone interact. energy: -0.555 local terms energy: -244.975868 where: bonds (distance) C4'-P energy: -84.621 bonds (distance) P-C4' energy: -85.923 flat angles C4'-P-C4' energy: -65.548 flat angles P-C4'-P energy: -24.718 tors. eta vs tors. theta energy: 15.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1720.069818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.069818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.069818 (E_RNA) where: Base-Base interactions energy: -1175.736 where: short stacking energy: -514.178 Base-Backbone interact. energy: -1.165 local terms energy: -543.168569 where: bonds (distance) C4'-P energy: -94.977 bonds (distance) P-C4' energy: -101.124 flat angles C4'-P-C4' energy: -112.813 flat angles P-C4'-P energy: -68.343 tors. eta vs tors. theta energy: -165.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1636.001795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.001795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.001795 (E_RNA) where: Base-Base interactions energy: -1121.545 where: short stacking energy: -496.178 Base-Backbone interact. energy: -4.257 local terms energy: -510.200043 where: bonds (distance) C4'-P energy: -95.194 bonds (distance) P-C4' energy: -96.796 flat angles C4'-P-C4' energy: -106.182 flat angles P-C4'-P energy: -63.015 tors. eta vs tors. theta energy: -149.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1510.627219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.627219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.627219 (E_RNA) where: Base-Base interactions energy: -1044.052 where: short stacking energy: -464.107 Base-Backbone interact. energy: -2.580 local terms energy: -463.995327 where: bonds (distance) C4'-P energy: -84.498 bonds (distance) P-C4' energy: -76.124 flat angles C4'-P-C4' energy: -104.921 flat angles P-C4'-P energy: -61.787 tors. eta vs tors. theta energy: -136.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1392.927415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.927415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.927415 (E_RNA) where: Base-Base interactions energy: -921.945 where: short stacking energy: -426.256 Base-Backbone interact. energy: -1.685 local terms energy: -469.297414 where: bonds (distance) C4'-P energy: -86.740 bonds (distance) P-C4' energy: -82.504 flat angles C4'-P-C4' energy: -101.005 flat angles P-C4'-P energy: -71.108 tors. eta vs tors. theta energy: -127.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1404.343681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.343681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.343681 (E_RNA) where: Base-Base interactions energy: -982.826 where: short stacking energy: -409.185 Base-Backbone interact. energy: -0.232 local terms energy: -421.285059 where: bonds (distance) C4'-P energy: -70.491 bonds (distance) P-C4' energy: -80.506 flat angles C4'-P-C4' energy: -94.337 flat angles P-C4'-P energy: -57.526 tors. eta vs tors. theta energy: -118.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1277.784974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.784974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.784974 (E_RNA) where: Base-Base interactions energy: -860.968 where: short stacking energy: -378.066 Base-Backbone interact. energy: 5.356 local terms energy: -422.173360 where: bonds (distance) C4'-P energy: -76.590 bonds (distance) P-C4' energy: -87.600 flat angles C4'-P-C4' energy: -87.845 flat angles P-C4'-P energy: -56.666 tors. eta vs tors. theta energy: -113.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1004.877091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.877091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.877091 (E_RNA) where: Base-Base interactions energy: -628.248 where: short stacking energy: -299.269 Base-Backbone interact. energy: -0.274 local terms energy: -376.355129 where: bonds (distance) C4'-P energy: -81.839 bonds (distance) P-C4' energy: -75.198 flat angles C4'-P-C4' energy: -88.052 flat angles P-C4'-P energy: -53.809 tors. eta vs tors. theta energy: -77.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -869.105430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.105430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.105430 (E_RNA) where: Base-Base interactions energy: -538.474 where: short stacking energy: -254.314 Base-Backbone interact. energy: -0.766 local terms energy: -329.865755 where: bonds (distance) C4'-P energy: -74.400 bonds (distance) P-C4' energy: -88.594 flat angles C4'-P-C4' energy: -76.568 flat angles P-C4'-P energy: -41.479 tors. eta vs tors. theta energy: -48.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -525.106907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.106907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.106907 (E_RNA) where: Base-Base interactions energy: -247.248 where: short stacking energy: -141.774 Base-Backbone interact. energy: -2.427 local terms energy: -275.432422 where: bonds (distance) C4'-P energy: -87.252 bonds (distance) P-C4' energy: -84.918 flat angles C4'-P-C4' energy: -68.831 flat angles P-C4'-P energy: -31.262 tors. eta vs tors. theta energy: -3.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -430.316119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.316119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.316119 (E_RNA) where: Base-Base interactions energy: -184.638 where: short stacking energy: -125.311 Base-Backbone interact. energy: 0.606 local terms energy: -246.284247 where: bonds (distance) C4'-P energy: -72.089 bonds (distance) P-C4' energy: -69.611 flat angles C4'-P-C4' energy: -68.633 flat angles P-C4'-P energy: -36.382 tors. eta vs tors. theta energy: 0.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1711.764323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.764323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.764323 (E_RNA) where: Base-Base interactions energy: -1189.321 where: short stacking energy: -521.307 Base-Backbone interact. energy: -0.334 local terms energy: -522.109845 where: bonds (distance) C4'-P energy: -97.125 bonds (distance) P-C4' energy: -89.355 flat angles C4'-P-C4' energy: -106.443 flat angles P-C4'-P energy: -72.960 tors. eta vs tors. theta energy: -156.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1637.520004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.520004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.520004 (E_RNA) where: Base-Base interactions energy: -1130.052 where: short stacking energy: -495.879 Base-Backbone interact. energy: -0.939 local terms energy: -506.528686 where: bonds (distance) C4'-P energy: -85.456 bonds (distance) P-C4' energy: -94.164 flat angles C4'-P-C4' energy: -104.292 flat angles P-C4'-P energy: -63.648 tors. eta vs tors. theta energy: -158.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1533.735783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.735783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.735783 (E_RNA) where: Base-Base interactions energy: -1059.245 where: short stacking energy: -452.744 Base-Backbone interact. energy: -1.627 local terms energy: -472.863289 where: bonds (distance) C4'-P energy: -87.132 bonds (distance) P-C4' energy: -91.874 flat angles C4'-P-C4' energy: -101.798 flat angles P-C4'-P energy: -66.867 tors. eta vs tors. theta energy: -125.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1468.633263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.633263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.633263 (E_RNA) where: Base-Base interactions energy: -997.130 where: short stacking energy: -437.225 Base-Backbone interact. energy: -1.505 local terms energy: -469.998621 where: bonds (distance) C4'-P energy: -77.203 bonds (distance) P-C4' energy: -95.031 flat angles C4'-P-C4' energy: -105.321 flat angles P-C4'-P energy: -69.827 tors. eta vs tors. theta energy: -122.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -1370.565476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.565476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.565476 (E_RNA) where: Base-Base interactions energy: -909.527 where: short stacking energy: -415.608 Base-Backbone interact. energy: 2.954 local terms energy: -463.992438 where: bonds (distance) C4'-P energy: -93.192 bonds (distance) P-C4' energy: -81.390 flat angles C4'-P-C4' energy: -90.936 flat angles P-C4'-P energy: -62.243 tors. eta vs tors. theta energy: -136.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1285.707804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.707804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.707804 (E_RNA) where: Base-Base interactions energy: -853.695 where: short stacking energy: -394.057 Base-Backbone interact. energy: -1.868 local terms energy: -430.144485 where: bonds (distance) C4'-P energy: -81.562 bonds (distance) P-C4' energy: -87.705 flat angles C4'-P-C4' energy: -98.807 flat angles P-C4'-P energy: -52.113 tors. eta vs tors. theta energy: -109.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -962.396638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.396638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.396638 (E_RNA) where: Base-Base interactions energy: -606.047 where: short stacking energy: -276.355 Base-Backbone interact. energy: 3.145 local terms energy: -359.495005 where: bonds (distance) C4'-P energy: -95.996 bonds (distance) P-C4' energy: -78.909 flat angles C4'-P-C4' energy: -71.800 flat angles P-C4'-P energy: -52.863 tors. eta vs tors. theta energy: -59.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -884.588084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.588084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.588084 (E_RNA) where: Base-Base interactions energy: -537.707 where: short stacking energy: -297.165 Base-Backbone interact. energy: 0.514 local terms energy: -347.395089 where: bonds (distance) C4'-P energy: -77.816 bonds (distance) P-C4' energy: -72.029 flat angles C4'-P-C4' energy: -79.555 flat angles P-C4'-P energy: -48.478 tors. eta vs tors. theta energy: -69.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -519.827037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.827037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.827037 (E_RNA) where: Base-Base interactions energy: -276.086 where: short stacking energy: -162.255 Base-Backbone interact. energy: 0.752 local terms energy: -244.493245 where: bonds (distance) C4'-P energy: -66.839 bonds (distance) P-C4' energy: -74.932 flat angles C4'-P-C4' energy: -59.086 flat angles P-C4'-P energy: -49.601 tors. eta vs tors. theta energy: 5.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -444.791171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.791171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.791171 (E_RNA) where: Base-Base interactions energy: -206.135 where: short stacking energy: -145.971 Base-Backbone interact. energy: 0.230 local terms energy: -238.885525 where: bonds (distance) C4'-P energy: -47.011 bonds (distance) P-C4' energy: -85.336 flat angles C4'-P-C4' energy: -70.742 flat angles P-C4'-P energy: -35.281 tors. eta vs tors. theta energy: -0.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1712.203199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.203199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.203199 (E_RNA) where: Base-Base interactions energy: -1168.963 where: short stacking energy: -516.531 Base-Backbone interact. energy: -2.020 local terms energy: -541.220496 where: bonds (distance) C4'-P energy: -102.009 bonds (distance) P-C4' energy: -92.685 flat angles C4'-P-C4' energy: -106.214 flat angles P-C4'-P energy: -75.499 tors. eta vs tors. theta energy: -164.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1617.478423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.478423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.478423 (E_RNA) where: Base-Base interactions energy: -1106.535 where: short stacking energy: -478.984 Base-Backbone interact. energy: -2.055 local terms energy: -508.888120 where: bonds (distance) C4'-P energy: -84.439 bonds (distance) P-C4' energy: -106.563 flat angles C4'-P-C4' energy: -96.071 flat angles P-C4'-P energy: -73.787 tors. eta vs tors. theta energy: -148.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1533.905260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.905260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.905260 (E_RNA) where: Base-Base interactions energy: -1036.891 where: short stacking energy: -477.441 Base-Backbone interact. energy: -1.015 local terms energy: -495.999140 where: bonds (distance) C4'-P energy: -92.996 bonds (distance) P-C4' energy: -97.177 flat angles C4'-P-C4' energy: -100.421 flat angles P-C4'-P energy: -69.679 tors. eta vs tors. theta energy: -135.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1476.495582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.495582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.495582 (E_RNA) where: Base-Base interactions energy: -1027.223 where: short stacking energy: -417.015 Base-Backbone interact. energy: -2.944 local terms energy: -446.328350 where: bonds (distance) C4'-P energy: -100.792 bonds (distance) P-C4' energy: -85.614 flat angles C4'-P-C4' energy: -87.336 flat angles P-C4'-P energy: -59.678 tors. eta vs tors. theta energy: -112.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -1345.109709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.109709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.109709 (E_RNA) where: Base-Base interactions energy: -891.637 where: short stacking energy: -373.109 Base-Backbone interact. energy: -1.724 local terms energy: -451.748831 where: bonds (distance) C4'-P energy: -93.988 bonds (distance) P-C4' energy: -90.660 flat angles C4'-P-C4' energy: -86.460 flat angles P-C4'-P energy: -70.655 tors. eta vs tors. theta energy: -109.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1286.026031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.026031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.026031 (E_RNA) where: Base-Base interactions energy: -870.501 where: short stacking energy: -381.444 Base-Backbone interact. energy: 0.373 local terms energy: -415.898797 where: bonds (distance) C4'-P energy: -83.624 bonds (distance) P-C4' energy: -77.935 flat angles C4'-P-C4' energy: -87.245 flat angles P-C4'-P energy: -51.377 tors. eta vs tors. theta energy: -115.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -925.127305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.127305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.127305 (E_RNA) where: Base-Base interactions energy: -567.563 where: short stacking energy: -304.855 Base-Backbone interact. energy: -1.539 local terms energy: -356.026052 where: bonds (distance) C4'-P energy: -68.841 bonds (distance) P-C4' energy: -72.106 flat angles C4'-P-C4' energy: -91.515 flat angles P-C4'-P energy: -56.088 tors. eta vs tors. theta energy: -67.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -903.756654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.756654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.756654 (E_RNA) where: Base-Base interactions energy: -582.487 where: short stacking energy: -270.694 Base-Backbone interact. energy: -1.819 local terms energy: -319.451515 where: bonds (distance) C4'-P energy: -83.286 bonds (distance) P-C4' energy: -66.437 flat angles C4'-P-C4' energy: -76.918 flat angles P-C4'-P energy: -43.557 tors. eta vs tors. theta energy: -49.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -580.753177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.753177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.753177 (E_RNA) where: Base-Base interactions energy: -300.839 where: short stacking energy: -170.818 Base-Backbone interact. energy: -1.235 local terms energy: -278.679082 where: bonds (distance) C4'-P energy: -88.044 bonds (distance) P-C4' energy: -78.765 flat angles C4'-P-C4' energy: -62.716 flat angles P-C4'-P energy: -45.059 tors. eta vs tors. theta energy: -4.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -472.070427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.070427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.070427 (E_RNA) where: Base-Base interactions energy: -201.035 where: short stacking energy: -125.683 Base-Backbone interact. energy: 0.329 local terms energy: -271.364812 where: bonds (distance) C4'-P energy: -74.712 bonds (distance) P-C4' energy: -78.413 flat angles C4'-P-C4' energy: -76.644 flat angles P-C4'-P energy: -39.344 tors. eta vs tors. theta energy: -2.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1705.932445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.932445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.932445 (E_RNA) where: Base-Base interactions energy: -1179.912 where: short stacking energy: -503.215 Base-Backbone interact. energy: -1.052 local terms energy: -524.967899 where: bonds (distance) C4'-P energy: -91.467 bonds (distance) P-C4' energy: -91.002 flat angles C4'-P-C4' energy: -98.961 flat angles P-C4'-P energy: -76.672 tors. eta vs tors. theta energy: -166.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1637.932716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.932716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.932716 (E_RNA) where: Base-Base interactions energy: -1120.366 where: short stacking energy: -490.888 Base-Backbone interact. energy: -1.546 local terms energy: -516.020785 where: bonds (distance) C4'-P energy: -87.914 bonds (distance) P-C4' energy: -92.451 flat angles C4'-P-C4' energy: -102.785 flat angles P-C4'-P energy: -80.137 tors. eta vs tors. theta energy: -152.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1530.141278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.141278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.141278 (E_RNA) where: Base-Base interactions energy: -1064.615 where: short stacking energy: -470.904 Base-Backbone interact. energy: 1.518 local terms energy: -467.043794 where: bonds (distance) C4'-P energy: -67.250 bonds (distance) P-C4' energy: -92.409 flat angles C4'-P-C4' energy: -106.739 flat angles P-C4'-P energy: -67.774 tors. eta vs tors. theta energy: -132.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1504.757147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.757147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.757147 (E_RNA) where: Base-Base interactions energy: -1064.851 where: short stacking energy: -442.726 Base-Backbone interact. energy: -1.929 local terms energy: -437.976776 where: bonds (distance) C4'-P energy: -81.307 bonds (distance) P-C4' energy: -83.443 flat angles C4'-P-C4' energy: -96.063 flat angles P-C4'-P energy: -63.725 tors. eta vs tors. theta energy: -113.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -1375.004794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.004794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.004794 (E_RNA) where: Base-Base interactions energy: -934.697 where: short stacking energy: -427.838 Base-Backbone interact. energy: -0.628 local terms energy: -439.680020 where: bonds (distance) C4'-P energy: -69.945 bonds (distance) P-C4' energy: -91.767 flat angles C4'-P-C4' energy: -101.073 flat angles P-C4'-P energy: -57.842 tors. eta vs tors. theta energy: -119.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1312.229756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.229756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.229756 (E_RNA) where: Base-Base interactions energy: -887.903 where: short stacking energy: -388.187 Base-Backbone interact. energy: -1.089 local terms energy: -423.238124 where: bonds (distance) C4'-P energy: -81.217 bonds (distance) P-C4' energy: -82.893 flat angles C4'-P-C4' energy: -96.373 flat angles P-C4'-P energy: -53.081 tors. eta vs tors. theta energy: -109.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -986.553592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.553592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.553592 (E_RNA) where: Base-Base interactions energy: -625.578 where: short stacking energy: -322.074 Base-Backbone interact. energy: -0.039 local terms energy: -360.937090 where: bonds (distance) C4'-P energy: -71.957 bonds (distance) P-C4' energy: -89.567 flat angles C4'-P-C4' energy: -84.365 flat angles P-C4'-P energy: -39.200 tors. eta vs tors. theta energy: -75.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -898.622577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.622577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.622577 (E_RNA) where: Base-Base interactions energy: -553.809 where: short stacking energy: -280.050 Base-Backbone interact. energy: 1.263 local terms energy: -346.075874 where: bonds (distance) C4'-P energy: -85.635 bonds (distance) P-C4' energy: -100.368 flat angles C4'-P-C4' energy: -67.521 flat angles P-C4'-P energy: -46.593 tors. eta vs tors. theta energy: -45.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -572.369309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.369309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.369309 (E_RNA) where: Base-Base interactions energy: -312.564 where: short stacking energy: -165.700 Base-Backbone interact. energy: -1.904 local terms energy: -257.901469 where: bonds (distance) C4'-P energy: -71.059 bonds (distance) P-C4' energy: -80.608 flat angles C4'-P-C4' energy: -50.123 flat angles P-C4'-P energy: -37.026 tors. eta vs tors. theta energy: -19.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -428.870697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.870697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.870697 (E_RNA) where: Base-Base interactions energy: -195.130 where: short stacking energy: -144.708 Base-Backbone interact. energy: 2.103 local terms energy: -235.842911 where: bonds (distance) C4'-P energy: -76.854 bonds (distance) P-C4' energy: -80.057 flat angles C4'-P-C4' energy: -55.928 flat angles P-C4'-P energy: -41.216 tors. eta vs tors. theta energy: 18.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1727.629103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.629103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.629103 (E_RNA) where: Base-Base interactions energy: -1181.117 where: short stacking energy: -518.141 Base-Backbone interact. energy: -1.524 local terms energy: -544.988131 where: bonds (distance) C4'-P energy: -93.651 bonds (distance) P-C4' energy: -93.951 flat angles C4'-P-C4' energy: -115.509 flat angles P-C4'-P energy: -75.249 tors. eta vs tors. theta energy: -166.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1671.008627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.008627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.008627 (E_RNA) where: Base-Base interactions energy: -1155.883 where: short stacking energy: -494.953 Base-Backbone interact. energy: -2.819 local terms energy: -512.306091 where: bonds (distance) C4'-P energy: -85.384 bonds (distance) P-C4' energy: -87.029 flat angles C4'-P-C4' energy: -107.716 flat angles P-C4'-P energy: -83.891 tors. eta vs tors. theta energy: -148.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1521.811024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.811024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.811024 (E_RNA) where: Base-Base interactions energy: -1028.806 where: short stacking energy: -447.879 Base-Backbone interact. energy: -2.554 local terms energy: -490.451360 where: bonds (distance) C4'-P energy: -87.022 bonds (distance) P-C4' energy: -93.388 flat angles C4'-P-C4' energy: -100.811 flat angles P-C4'-P energy: -72.093 tors. eta vs tors. theta energy: -137.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1480.848091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.848091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.848091 (E_RNA) where: Base-Base interactions energy: -1048.712 where: short stacking energy: -425.880 Base-Backbone interact. energy: -0.418 local terms energy: -431.718240 where: bonds (distance) C4'-P energy: -69.003 bonds (distance) P-C4' energy: -88.747 flat angles C4'-P-C4' energy: -91.747 flat angles P-C4'-P energy: -64.023 tors. eta vs tors. theta energy: -118.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -1384.182772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.182772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.182772 (E_RNA) where: Base-Base interactions energy: -916.374 where: short stacking energy: -415.622 Base-Backbone interact. energy: -1.594 local terms energy: -466.214715 where: bonds (distance) C4'-P energy: -90.694 bonds (distance) P-C4' energy: -87.956 flat angles C4'-P-C4' energy: -99.293 flat angles P-C4'-P energy: -63.814 tors. eta vs tors. theta energy: -124.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -1304.528978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.528978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.528978 (E_RNA) where: Base-Base interactions energy: -880.981 where: short stacking energy: -415.523 Base-Backbone interact. energy: -0.092 local terms energy: -423.456114 where: bonds (distance) C4'-P energy: -83.097 bonds (distance) P-C4' energy: -77.323 flat angles C4'-P-C4' energy: -96.604 flat angles P-C4'-P energy: -57.217 tors. eta vs tors. theta energy: -109.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -941.726128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.726128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.726128 (E_RNA) where: Base-Base interactions energy: -577.355 where: short stacking energy: -276.932 Base-Backbone interact. energy: -2.447 local terms energy: -361.923619 where: bonds (distance) C4'-P energy: -72.876 bonds (distance) P-C4' energy: -92.145 flat angles C4'-P-C4' energy: -85.760 flat angles P-C4'-P energy: -49.053 tors. eta vs tors. theta energy: -62.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -891.355373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.355373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.355373 (E_RNA) where: Base-Base interactions energy: -562.147 where: short stacking energy: -272.049 Base-Backbone interact. energy: -2.097 local terms energy: -327.110966 where: bonds (distance) C4'-P energy: -77.657 bonds (distance) P-C4' energy: -68.798 flat angles C4'-P-C4' energy: -74.303 flat angles P-C4'-P energy: -38.673 tors. eta vs tors. theta energy: -67.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -524.240829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.240829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.240829 (E_RNA) where: Base-Base interactions energy: -249.457 where: short stacking energy: -170.843 Base-Backbone interact. energy: -0.610 local terms energy: -274.174112 where: bonds (distance) C4'-P energy: -60.943 bonds (distance) P-C4' energy: -91.558 flat angles C4'-P-C4' energy: -58.909 flat angles P-C4'-P energy: -55.908 tors. eta vs tors. theta energy: -6.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -431.157235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.157235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.157235 (E_RNA) where: Base-Base interactions energy: -202.543 where: short stacking energy: -138.212 Base-Backbone interact. energy: 8.191 local terms energy: -236.805233 where: bonds (distance) C4'-P energy: -73.486 bonds (distance) P-C4' energy: -73.984 flat angles C4'-P-C4' energy: -60.390 flat angles P-C4'-P energy: -36.222 tors. eta vs tors. theta energy: 7.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1711.642077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.642077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.642077 (E_RNA) where: Base-Base interactions energy: -1184.703 where: short stacking energy: -513.566 Base-Backbone interact. energy: -1.565 local terms energy: -525.374700 where: bonds (distance) C4'-P energy: -86.623 bonds (distance) P-C4' energy: -89.057 flat angles C4'-P-C4' energy: -110.629 flat angles P-C4'-P energy: -68.629 tors. eta vs tors. theta energy: -170.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1631.429920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.429920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.429920 (E_RNA) where: Base-Base interactions energy: -1129.544 where: short stacking energy: -503.001 Base-Backbone interact. energy: -2.955 local terms energy: -498.931419 where: bonds (distance) C4'-P energy: -80.895 bonds (distance) P-C4' energy: -101.175 flat angles C4'-P-C4' energy: -106.414 flat angles P-C4'-P energy: -73.745 tors. eta vs tors. theta energy: -136.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1541.856406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.856406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.856406 (E_RNA) where: Base-Base interactions energy: -1073.297 where: short stacking energy: -446.399 Base-Backbone interact. energy: -2.090 local terms energy: -466.469499 where: bonds (distance) C4'-P energy: -89.654 bonds (distance) P-C4' energy: -96.403 flat angles C4'-P-C4' energy: -88.520 flat angles P-C4'-P energy: -71.369 tors. eta vs tors. theta energy: -120.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1484.550696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.550696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.550696 (E_RNA) where: Base-Base interactions energy: -1035.596 where: short stacking energy: -442.589 Base-Backbone interact. energy: 0.928 local terms energy: -449.883181 where: bonds (distance) C4'-P energy: -83.520 bonds (distance) P-C4' energy: -84.851 flat angles C4'-P-C4' energy: -92.898 flat angles P-C4'-P energy: -58.243 tors. eta vs tors. theta energy: -130.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -1410.951539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.951539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.951539 (E_RNA) where: Base-Base interactions energy: -941.222 where: short stacking energy: -437.546 Base-Backbone interact. energy: -0.620 local terms energy: -469.109832 where: bonds (distance) C4'-P energy: -78.854 bonds (distance) P-C4' energy: -85.800 flat angles C4'-P-C4' energy: -100.393 flat angles P-C4'-P energy: -68.515 tors. eta vs tors. theta energy: -135.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1263.486622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.486622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.486622 (E_RNA) where: Base-Base interactions energy: -855.723 where: short stacking energy: -365.672 Base-Backbone interact. energy: -1.479 local terms energy: -406.283658 where: bonds (distance) C4'-P energy: -72.217 bonds (distance) P-C4' energy: -79.765 flat angles C4'-P-C4' energy: -89.504 flat angles P-C4'-P energy: -64.974 tors. eta vs tors. theta energy: -99.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -866.640928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.640928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.640928 (E_RNA) where: Base-Base interactions energy: -523.087 where: short stacking energy: -246.940 Base-Backbone interact. energy: -0.013 local terms energy: -343.540916 where: bonds (distance) C4'-P energy: -74.201 bonds (distance) P-C4' energy: -98.116 flat angles C4'-P-C4' energy: -80.571 flat angles P-C4'-P energy: -43.912 tors. eta vs tors. theta energy: -46.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -922.100578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.100578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.100578 (E_RNA) where: Base-Base interactions energy: -544.476 where: short stacking energy: -254.788 Base-Backbone interact. energy: -0.139 local terms energy: -377.485745 where: bonds (distance) C4'-P energy: -80.592 bonds (distance) P-C4' energy: -85.516 flat angles C4'-P-C4' energy: -89.604 flat angles P-C4'-P energy: -59.345 tors. eta vs tors. theta energy: -62.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -515.650046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.650046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.650046 (E_RNA) where: Base-Base interactions energy: -242.272 where: short stacking energy: -162.316 Base-Backbone interact. energy: -2.606 local terms energy: -270.772454 where: bonds (distance) C4'-P energy: -60.263 bonds (distance) P-C4' energy: -91.023 flat angles C4'-P-C4' energy: -63.011 flat angles P-C4'-P energy: -50.061 tors. eta vs tors. theta energy: -6.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -404.743107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.743107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.743107 (E_RNA) where: Base-Base interactions energy: -172.579 where: short stacking energy: -108.818 Base-Backbone interact. energy: 0.348 local terms energy: -232.512291 where: bonds (distance) C4'-P energy: -61.533 bonds (distance) P-C4' energy: -88.947 flat angles C4'-P-C4' energy: -59.449 flat angles P-C4'-P energy: -38.700 tors. eta vs tors. theta energy: 16.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1720.401275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.401275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.401275 (E_RNA) where: Base-Base interactions energy: -1187.579 where: short stacking energy: -522.875 Base-Backbone interact. energy: -2.790 local terms energy: -530.032485 where: bonds (distance) C4'-P energy: -92.789 bonds (distance) P-C4' energy: -94.580 flat angles C4'-P-C4' energy: -111.077 flat angles P-C4'-P energy: -64.877 tors. eta vs tors. theta energy: -166.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1647.481496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.481496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.481496 (E_RNA) where: Base-Base interactions energy: -1138.568 where: short stacking energy: -481.946 Base-Backbone interact. energy: -1.689 local terms energy: -507.224518 where: bonds (distance) C4'-P energy: -82.413 bonds (distance) P-C4' energy: -91.453 flat angles C4'-P-C4' energy: -104.412 flat angles P-C4'-P energy: -80.142 tors. eta vs tors. theta energy: -148.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1532.024246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.024246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.024246 (E_RNA) where: Base-Base interactions energy: -1054.824 where: short stacking energy: -471.462 Base-Backbone interact. energy: -2.473 local terms energy: -474.727110 where: bonds (distance) C4'-P energy: -90.940 bonds (distance) P-C4' energy: -79.148 flat angles C4'-P-C4' energy: -113.899 flat angles P-C4'-P energy: -65.165 tors. eta vs tors. theta energy: -125.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1500.210756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.210756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.210756 (E_RNA) where: Base-Base interactions energy: -1038.366 where: short stacking energy: -419.370 Base-Backbone interact. energy: -3.445 local terms energy: -458.399336 where: bonds (distance) C4'-P energy: -96.654 bonds (distance) P-C4' energy: -75.796 flat angles C4'-P-C4' energy: -103.110 flat angles P-C4'-P energy: -63.236 tors. eta vs tors. theta energy: -119.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1408.710482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.710482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.710482 (E_RNA) where: Base-Base interactions energy: -943.380 where: short stacking energy: -466.148 Base-Backbone interact. energy: 0.371 local terms energy: -465.701167 where: bonds (distance) C4'-P energy: -83.220 bonds (distance) P-C4' energy: -75.616 flat angles C4'-P-C4' energy: -103.460 flat angles P-C4'-P energy: -71.498 tors. eta vs tors. theta energy: -131.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1273.873022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.873022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.873022 (E_RNA) where: Base-Base interactions energy: -853.411 where: short stacking energy: -382.117 Base-Backbone interact. energy: -2.561 local terms energy: -417.901057 where: bonds (distance) C4'-P energy: -79.622 bonds (distance) P-C4' energy: -88.008 flat angles C4'-P-C4' energy: -87.564 flat angles P-C4'-P energy: -55.320 tors. eta vs tors. theta energy: -107.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -960.456397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.456397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.456397 (E_RNA) where: Base-Base interactions energy: -607.306 where: short stacking energy: -294.337 Base-Backbone interact. energy: 2.327 local terms energy: -355.476996 where: bonds (distance) C4'-P energy: -73.793 bonds (distance) P-C4' energy: -81.818 flat angles C4'-P-C4' energy: -84.880 flat angles P-C4'-P energy: -63.525 tors. eta vs tors. theta energy: -51.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -915.220390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.220390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.220390 (E_RNA) where: Base-Base interactions energy: -581.951 where: short stacking energy: -295.591 Base-Backbone interact. energy: 0.553 local terms energy: -333.821773 where: bonds (distance) C4'-P energy: -67.409 bonds (distance) P-C4' energy: -84.459 flat angles C4'-P-C4' energy: -82.499 flat angles P-C4'-P energy: -35.660 tors. eta vs tors. theta energy: -63.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -569.843997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.843997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.843997 (E_RNA) where: Base-Base interactions energy: -247.907 where: short stacking energy: -165.237 Base-Backbone interact. energy: -1.131 local terms energy: -320.805971 where: bonds (distance) C4'-P energy: -65.847 bonds (distance) P-C4' energy: -102.981 flat angles C4'-P-C4' energy: -80.647 flat angles P-C4'-P energy: -49.624 tors. eta vs tors. theta energy: -21.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -373.969922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.969922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.969922 (E_RNA) where: Base-Base interactions energy: -135.527 where: short stacking energy: -106.689 Base-Backbone interact. energy: -1.579 local terms energy: -236.864189 where: bonds (distance) C4'-P energy: -74.268 bonds (distance) P-C4' energy: -79.073 flat angles C4'-P-C4' energy: -50.093 flat angles P-C4'-P energy: -45.850 tors. eta vs tors. theta energy: 12.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1691.773631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.773631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.773631 (E_RNA) where: Base-Base interactions energy: -1172.731 where: short stacking energy: -507.944 Base-Backbone interact. energy: -1.721 local terms energy: -517.322167 where: bonds (distance) C4'-P energy: -89.979 bonds (distance) P-C4' energy: -84.503 flat angles C4'-P-C4' energy: -101.596 flat angles P-C4'-P energy: -78.197 tors. eta vs tors. theta energy: -163.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1648.220525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.220525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.220525 (E_RNA) where: Base-Base interactions energy: -1139.285 where: short stacking energy: -504.295 Base-Backbone interact. energy: -2.457 local terms energy: -506.478680 where: bonds (distance) C4'-P energy: -93.324 bonds (distance) P-C4' energy: -89.857 flat angles C4'-P-C4' energy: -92.996 flat angles P-C4'-P energy: -78.404 tors. eta vs tors. theta energy: -151.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1508.821051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.821051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.821051 (E_RNA) where: Base-Base interactions energy: -1056.191 where: short stacking energy: -457.500 Base-Backbone interact. energy: -2.299 local terms energy: -450.331645 where: bonds (distance) C4'-P energy: -85.138 bonds (distance) P-C4' energy: -61.486 flat angles C4'-P-C4' energy: -111.578 flat angles P-C4'-P energy: -58.352 tors. eta vs tors. theta energy: -133.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1512.961047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.961047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.961047 (E_RNA) where: Base-Base interactions energy: -1051.275 where: short stacking energy: -454.893 Base-Backbone interact. energy: 5.753 local terms energy: -467.438999 where: bonds (distance) C4'-P energy: -84.742 bonds (distance) P-C4' energy: -82.372 flat angles C4'-P-C4' energy: -94.008 flat angles P-C4'-P energy: -72.360 tors. eta vs tors. theta energy: -133.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1387.841354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.841354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.841354 (E_RNA) where: Base-Base interactions energy: -896.366 where: short stacking energy: -428.859 Base-Backbone interact. energy: -1.457 local terms energy: -490.018796 where: bonds (distance) C4'-P energy: -89.698 bonds (distance) P-C4' energy: -85.607 flat angles C4'-P-C4' energy: -101.425 flat angles P-C4'-P energy: -78.278 tors. eta vs tors. theta energy: -135.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -1284.132724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.132724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.132724 (E_RNA) where: Base-Base interactions energy: -854.461 where: short stacking energy: -378.389 Base-Backbone interact. energy: -2.053 local terms energy: -427.618661 where: bonds (distance) C4'-P energy: -70.142 bonds (distance) P-C4' energy: -89.562 flat angles C4'-P-C4' energy: -97.664 flat angles P-C4'-P energy: -54.640 tors. eta vs tors. theta energy: -115.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -882.094730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.094730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.094730 (E_RNA) where: Base-Base interactions energy: -517.781 where: short stacking energy: -259.521 Base-Backbone interact. energy: -1.351 local terms energy: -362.962721 where: bonds (distance) C4'-P energy: -81.053 bonds (distance) P-C4' energy: -84.968 flat angles C4'-P-C4' energy: -88.464 flat angles P-C4'-P energy: -51.401 tors. eta vs tors. theta energy: -57.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -909.197176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.197176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.197176 (E_RNA) where: Base-Base interactions energy: -583.496 where: short stacking energy: -261.794 Base-Backbone interact. energy: 0.469 local terms energy: -326.170910 where: bonds (distance) C4'-P energy: -72.289 bonds (distance) P-C4' energy: -82.988 flat angles C4'-P-C4' energy: -75.413 flat angles P-C4'-P energy: -45.124 tors. eta vs tors. theta energy: -50.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -535.432404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.432404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.432404 (E_RNA) where: Base-Base interactions energy: -254.454 where: short stacking energy: -167.207 Base-Backbone interact. energy: 1.160 local terms energy: -282.138035 where: bonds (distance) C4'-P energy: -70.847 bonds (distance) P-C4' energy: -97.028 flat angles C4'-P-C4' energy: -56.103 flat angles P-C4'-P energy: -42.173 tors. eta vs tors. theta energy: -15.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -370.950288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.950288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.950288 (E_RNA) where: Base-Base interactions energy: -141.726 where: short stacking energy: -97.681 Base-Backbone interact. energy: 4.102 local terms energy: -233.326506 where: bonds (distance) C4'-P energy: -64.545 bonds (distance) P-C4' energy: -77.610 flat angles C4'-P-C4' energy: -63.539 flat angles P-C4'-P energy: -37.037 tors. eta vs tors. theta energy: 9.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1708.305852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.305852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.305852 (E_RNA) where: Base-Base interactions energy: -1176.826 where: short stacking energy: -519.638 Base-Backbone interact. energy: -2.382 local terms energy: -529.098010 where: bonds (distance) C4'-P energy: -94.181 bonds (distance) P-C4' energy: -86.024 flat angles C4'-P-C4' energy: -109.361 flat angles P-C4'-P energy: -78.479 tors. eta vs tors. theta energy: -161.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1627.033431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.033431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.033431 (E_RNA) where: Base-Base interactions energy: -1129.121 where: short stacking energy: -478.808 Base-Backbone interact. energy: -1.736 local terms energy: -496.177116 where: bonds (distance) C4'-P energy: -88.318 bonds (distance) P-C4' energy: -88.905 flat angles C4'-P-C4' energy: -105.945 flat angles P-C4'-P energy: -64.712 tors. eta vs tors. theta energy: -148.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1544.599123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.599123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.599123 (E_RNA) where: Base-Base interactions energy: -1083.362 where: short stacking energy: -463.431 Base-Backbone interact. energy: -3.672 local terms energy: -457.565403 where: bonds (distance) C4'-P energy: -87.326 bonds (distance) P-C4' energy: -81.118 flat angles C4'-P-C4' energy: -96.616 flat angles P-C4'-P energy: -63.880 tors. eta vs tors. theta energy: -128.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1462.621636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.621636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.621636 (E_RNA) where: Base-Base interactions energy: -1003.342 where: short stacking energy: -443.847 Base-Backbone interact. energy: -1.358 local terms energy: -457.921368 where: bonds (distance) C4'-P energy: -81.105 bonds (distance) P-C4' energy: -90.193 flat angles C4'-P-C4' energy: -99.379 flat angles P-C4'-P energy: -61.897 tors. eta vs tors. theta energy: -125.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1329.398535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.398535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.398535 (E_RNA) where: Base-Base interactions energy: -895.370 where: short stacking energy: -424.370 Base-Backbone interact. energy: -1.239 local terms energy: -432.789473 where: bonds (distance) C4'-P energy: -87.111 bonds (distance) P-C4' energy: -71.426 flat angles C4'-P-C4' energy: -95.482 flat angles P-C4'-P energy: -56.773 tors. eta vs tors. theta energy: -121.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -1302.117140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.117140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.117140 (E_RNA) where: Base-Base interactions energy: -869.423 where: short stacking energy: -397.151 Base-Backbone interact. energy: 2.499 local terms energy: -435.192803 where: bonds (distance) C4'-P energy: -87.823 bonds (distance) P-C4' energy: -80.468 flat angles C4'-P-C4' energy: -98.153 flat angles P-C4'-P energy: -57.433 tors. eta vs tors. theta energy: -111.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -937.572405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.572405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.572405 (E_RNA) where: Base-Base interactions energy: -580.637 where: short stacking energy: -290.007 Base-Backbone interact. energy: 0.484 local terms energy: -357.419631 where: bonds (distance) C4'-P energy: -93.676 bonds (distance) P-C4' energy: -75.958 flat angles C4'-P-C4' energy: -72.687 flat angles P-C4'-P energy: -54.870 tors. eta vs tors. theta energy: -60.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -873.176875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.176875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.176875 (E_RNA) where: Base-Base interactions energy: -534.458 where: short stacking energy: -242.513 Base-Backbone interact. energy: 1.140 local terms energy: -339.858175 where: bonds (distance) C4'-P energy: -78.748 bonds (distance) P-C4' energy: -88.095 flat angles C4'-P-C4' energy: -64.627 flat angles P-C4'-P energy: -57.981 tors. eta vs tors. theta energy: -50.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -492.514516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.514516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.514516 (E_RNA) where: Base-Base interactions energy: -217.760 where: short stacking energy: -143.884 Base-Backbone interact. energy: -1.592 local terms energy: -273.162991 where: bonds (distance) C4'-P energy: -73.011 bonds (distance) P-C4' energy: -79.957 flat angles C4'-P-C4' energy: -64.425 flat angles P-C4'-P energy: -45.970 tors. eta vs tors. theta energy: -9.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -378.134119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -378.134119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -378.134119 (E_RNA) where: Base-Base interactions energy: -137.932 where: short stacking energy: -108.702 Base-Backbone interact. energy: 0.391 local terms energy: -240.593148 where: bonds (distance) C4'-P energy: -66.449 bonds (distance) P-C4' energy: -70.076 flat angles C4'-P-C4' energy: -71.595 flat angles P-C4'-P energy: -42.295 tors. eta vs tors. theta energy: 9.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1712.973718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.973718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.973718 (E_RNA) where: Base-Base interactions energy: -1194.947 where: short stacking energy: -506.076 Base-Backbone interact. energy: -2.140 local terms energy: -515.886639 where: bonds (distance) C4'-P energy: -87.833 bonds (distance) P-C4' energy: -97.163 flat angles C4'-P-C4' energy: -111.201 flat angles P-C4'-P energy: -54.840 tors. eta vs tors. theta energy: -164.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1638.567289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.567289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.567289 (E_RNA) where: Base-Base interactions energy: -1145.352 where: short stacking energy: -491.769 Base-Backbone interact. energy: -1.564 local terms energy: -491.651315 where: bonds (distance) C4'-P energy: -95.116 bonds (distance) P-C4' energy: -84.206 flat angles C4'-P-C4' energy: -106.125 flat angles P-C4'-P energy: -60.533 tors. eta vs tors. theta energy: -145.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1549.142875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.142875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.142875 (E_RNA) where: Base-Base interactions energy: -1085.579 where: short stacking energy: -447.728 Base-Backbone interact. energy: -3.271 local terms energy: -460.293256 where: bonds (distance) C4'-P energy: -76.596 bonds (distance) P-C4' energy: -89.185 flat angles C4'-P-C4' energy: -100.401 flat angles P-C4'-P energy: -66.735 tors. eta vs tors. theta energy: -127.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1497.410053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.410053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.410053 (E_RNA) where: Base-Base interactions energy: -1020.149 where: short stacking energy: -449.692 Base-Backbone interact. energy: 1.559 local terms energy: -478.819988 where: bonds (distance) C4'-P energy: -85.943 bonds (distance) P-C4' energy: -90.245 flat angles C4'-P-C4' energy: -100.275 flat angles P-C4'-P energy: -68.313 tors. eta vs tors. theta energy: -134.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1363.784030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.784030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.784030 (E_RNA) where: Base-Base interactions energy: -921.410 where: short stacking energy: -391.507 Base-Backbone interact. energy: -2.041 local terms energy: -440.333278 where: bonds (distance) C4'-P energy: -86.462 bonds (distance) P-C4' energy: -82.078 flat angles C4'-P-C4' energy: -86.815 flat angles P-C4'-P energy: -64.477 tors. eta vs tors. theta energy: -120.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1299.108228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.108228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.108228 (E_RNA) where: Base-Base interactions energy: -867.110 where: short stacking energy: -412.664 Base-Backbone interact. energy: -1.608 local terms energy: -430.389910 where: bonds (distance) C4'-P energy: -74.854 bonds (distance) P-C4' energy: -87.019 flat angles C4'-P-C4' energy: -97.495 flat angles P-C4'-P energy: -51.615 tors. eta vs tors. theta energy: -119.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -982.029026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.029026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.029026 (E_RNA) where: Base-Base interactions energy: -619.411 where: short stacking energy: -287.688 Base-Backbone interact. energy: -0.376 local terms energy: -362.242674 where: bonds (distance) C4'-P energy: -78.648 bonds (distance) P-C4' energy: -72.867 flat angles C4'-P-C4' energy: -87.666 flat angles P-C4'-P energy: -62.813 tors. eta vs tors. theta energy: -60.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -868.037114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.037114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.037114 (E_RNA) where: Base-Base interactions energy: -512.690 where: short stacking energy: -268.725 Base-Backbone interact. energy: -1.404 local terms energy: -353.943178 where: bonds (distance) C4'-P energy: -76.152 bonds (distance) P-C4' energy: -81.392 flat angles C4'-P-C4' energy: -88.566 flat angles P-C4'-P energy: -44.174 tors. eta vs tors. theta energy: -63.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -529.407681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.407681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.407681 (E_RNA) where: Base-Base interactions energy: -239.873 where: short stacking energy: -142.180 Base-Backbone interact. energy: 0.437 local terms energy: -289.971638 where: bonds (distance) C4'-P energy: -85.655 bonds (distance) P-C4' energy: -84.849 flat angles C4'-P-C4' energy: -71.493 flat angles P-C4'-P energy: -44.863 tors. eta vs tors. theta energy: -3.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -362.985722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.985722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.985722 (E_RNA) where: Base-Base interactions energy: -126.105 where: short stacking energy: -89.804 Base-Backbone interact. energy: 2.030 local terms energy: -238.911414 where: bonds (distance) C4'-P energy: -60.089 bonds (distance) P-C4' energy: -93.417 flat angles C4'-P-C4' energy: -62.028 flat angles P-C4'-P energy: -59.790 tors. eta vs tors. theta energy: 36.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1706.718339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.718339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.718339 (E_RNA) where: Base-Base interactions energy: -1189.140 where: short stacking energy: -512.784 Base-Backbone interact. energy: -2.452 local terms energy: -515.125702 where: bonds (distance) C4'-P energy: -87.935 bonds (distance) P-C4' energy: -85.628 flat angles C4'-P-C4' energy: -108.892 flat angles P-C4'-P energy: -71.079 tors. eta vs tors. theta energy: -161.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1626.503075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.503075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.503075 (E_RNA) where: Base-Base interactions energy: -1105.921 where: short stacking energy: -482.542 Base-Backbone interact. energy: -2.081 local terms energy: -518.501407 where: bonds (distance) C4'-P energy: -89.649 bonds (distance) P-C4' energy: -95.991 flat angles C4'-P-C4' energy: -103.024 flat angles P-C4'-P energy: -77.569 tors. eta vs tors. theta energy: -152.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1573.898792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.898792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.898792 (E_RNA) where: Base-Base interactions energy: -1094.084 where: short stacking energy: -454.162 Base-Backbone interact. energy: -2.041 local terms energy: -477.774751 where: bonds (distance) C4'-P energy: -88.253 bonds (distance) P-C4' energy: -90.524 flat angles C4'-P-C4' energy: -102.703 flat angles P-C4'-P energy: -67.846 tors. eta vs tors. theta energy: -128.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1490.336081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.336081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.336081 (E_RNA) where: Base-Base interactions energy: -1046.805 where: short stacking energy: -475.287 Base-Backbone interact. energy: -0.174 local terms energy: -443.357475 where: bonds (distance) C4'-P energy: -75.220 bonds (distance) P-C4' energy: -77.311 flat angles C4'-P-C4' energy: -98.238 flat angles P-C4'-P energy: -61.342 tors. eta vs tors. theta energy: -131.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1376.112652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.112652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.112652 (E_RNA) where: Base-Base interactions energy: -952.194 where: short stacking energy: -409.156 Base-Backbone interact. energy: -1.264 local terms energy: -422.654618 where: bonds (distance) C4'-P energy: -86.894 bonds (distance) P-C4' energy: -55.549 flat angles C4'-P-C4' energy: -105.674 flat angles P-C4'-P energy: -64.653 tors. eta vs tors. theta energy: -109.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1316.133537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.133537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.133537 (E_RNA) where: Base-Base interactions energy: -888.353 where: short stacking energy: -405.824 Base-Backbone interact. energy: -2.626 local terms energy: -425.154671 where: bonds (distance) C4'-P energy: -77.418 bonds (distance) P-C4' energy: -88.824 flat angles C4'-P-C4' energy: -88.219 flat angles P-C4'-P energy: -59.553 tors. eta vs tors. theta energy: -111.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -978.916085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.916085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.916085 (E_RNA) where: Base-Base interactions energy: -614.300 where: short stacking energy: -256.337 Base-Backbone interact. energy: -4.268 local terms energy: -360.347390 where: bonds (distance) C4'-P energy: -81.093 bonds (distance) P-C4' energy: -99.213 flat angles C4'-P-C4' energy: -83.770 flat angles P-C4'-P energy: -48.941 tors. eta vs tors. theta energy: -47.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -814.238902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.238902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.238902 (E_RNA) where: Base-Base interactions energy: -503.060 where: short stacking energy: -246.003 Base-Backbone interact. energy: -1.373 local terms energy: -309.806138 where: bonds (distance) C4'-P energy: -63.323 bonds (distance) P-C4' energy: -77.998 flat angles C4'-P-C4' energy: -82.441 flat angles P-C4'-P energy: -46.250 tors. eta vs tors. theta energy: -39.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -582.958080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.958080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.958080 (E_RNA) where: Base-Base interactions energy: -294.173 where: short stacking energy: -165.687 Base-Backbone interact. energy: -2.501 local terms energy: -286.284202 where: bonds (distance) C4'-P energy: -78.071 bonds (distance) P-C4' energy: -89.597 flat angles C4'-P-C4' energy: -66.007 flat angles P-C4'-P energy: -50.710 tors. eta vs tors. theta energy: -1.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -373.503622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.503622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.503622 (E_RNA) where: Base-Base interactions energy: -123.129 where: short stacking energy: -100.502 Base-Backbone interact. energy: -1.045 local terms energy: -249.329870 where: bonds (distance) C4'-P energy: -83.361 bonds (distance) P-C4' energy: -73.720 flat angles C4'-P-C4' energy: -56.268 flat angles P-C4'-P energy: -44.662 tors. eta vs tors. theta energy: 8.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1718.953776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.953776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.953776 (E_RNA) where: Base-Base interactions energy: -1168.650 where: short stacking energy: -507.237 Base-Backbone interact. energy: -1.704 local terms energy: -548.599515 where: bonds (distance) C4'-P energy: -102.247 bonds (distance) P-C4' energy: -96.343 flat angles C4'-P-C4' energy: -113.869 flat angles P-C4'-P energy: -80.020 tors. eta vs tors. theta energy: -156.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1650.158758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.158758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.158758 (E_RNA) where: Base-Base interactions energy: -1140.359 where: short stacking energy: -486.832 Base-Backbone interact. energy: 2.695 local terms energy: -512.495090 where: bonds (distance) C4'-P energy: -96.019 bonds (distance) P-C4' energy: -84.842 flat angles C4'-P-C4' energy: -110.036 flat angles P-C4'-P energy: -66.845 tors. eta vs tors. theta energy: -154.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1553.919493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.919493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.919493 (E_RNA) where: Base-Base interactions energy: -1073.814 where: short stacking energy: -460.757 Base-Backbone interact. energy: -3.340 local terms energy: -476.765577 where: bonds (distance) C4'-P energy: -86.975 bonds (distance) P-C4' energy: -91.783 flat angles C4'-P-C4' energy: -100.079 flat angles P-C4'-P energy: -68.957 tors. eta vs tors. theta energy: -128.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1494.153948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.153948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.153948 (E_RNA) where: Base-Base interactions energy: -1013.056 where: short stacking energy: -446.547 Base-Backbone interact. energy: 1.210 local terms energy: -482.307140 where: bonds (distance) C4'-P energy: -85.310 bonds (distance) P-C4' energy: -99.764 flat angles C4'-P-C4' energy: -99.471 flat angles P-C4'-P energy: -63.296 tors. eta vs tors. theta energy: -134.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1398.730869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.730869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.730869 (E_RNA) where: Base-Base interactions energy: -950.133 where: short stacking energy: -424.651 Base-Backbone interact. energy: -1.317 local terms energy: -447.280792 where: bonds (distance) C4'-P energy: -80.677 bonds (distance) P-C4' energy: -85.283 flat angles C4'-P-C4' energy: -93.797 flat angles P-C4'-P energy: -63.456 tors. eta vs tors. theta energy: -124.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1350.920973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.920973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.920973 (E_RNA) where: Base-Base interactions energy: -887.999 where: short stacking energy: -395.663 Base-Backbone interact. energy: -2.887 local terms energy: -460.034576 where: bonds (distance) C4'-P energy: -93.723 bonds (distance) P-C4' energy: -84.968 flat angles C4'-P-C4' energy: -94.588 flat angles P-C4'-P energy: -64.403 tors. eta vs tors. theta energy: -122.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -950.978075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.978075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.978075 (E_RNA) where: Base-Base interactions energy: -598.920 where: short stacking energy: -279.472 Base-Backbone interact. energy: -1.593 local terms energy: -350.465403 where: bonds (distance) C4'-P energy: -85.232 bonds (distance) P-C4' energy: -73.792 flat angles C4'-P-C4' energy: -98.728 flat angles P-C4'-P energy: -40.377 tors. eta vs tors. theta energy: -52.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -767.855812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.855812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.855812 (E_RNA) where: Base-Base interactions energy: -478.446 where: short stacking energy: -239.300 Base-Backbone interact. energy: -2.983 local terms energy: -286.426516 where: bonds (distance) C4'-P energy: -60.094 bonds (distance) P-C4' energy: -73.101 flat angles C4'-P-C4' energy: -76.207 flat angles P-C4'-P energy: -46.018 tors. eta vs tors. theta energy: -31.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -563.775100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.775100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.775100 (E_RNA) where: Base-Base interactions energy: -273.105 where: short stacking energy: -154.153 Base-Backbone interact. energy: -2.352 local terms energy: -288.318409 where: bonds (distance) C4'-P energy: -83.493 bonds (distance) P-C4' energy: -82.235 flat angles C4'-P-C4' energy: -76.157 flat angles P-C4'-P energy: -39.955 tors. eta vs tors. theta energy: -6.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -360.537535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.537535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.537535 (E_RNA) where: Base-Base interactions energy: -126.041 where: short stacking energy: -99.363 Base-Backbone interact. energy: 10.327 local terms energy: -244.823594 where: bonds (distance) C4'-P energy: -73.839 bonds (distance) P-C4' energy: -86.542 flat angles C4'-P-C4' energy: -60.495 flat angles P-C4'-P energy: -32.114 tors. eta vs tors. theta energy: 8.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1694.073315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.073315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.073315 (E_RNA) where: Base-Base interactions energy: -1134.037 where: short stacking energy: -494.271 Base-Backbone interact. energy: -1.420 local terms energy: -558.617077 where: bonds (distance) C4'-P energy: -98.132 bonds (distance) P-C4' energy: -105.271 flat angles C4'-P-C4' energy: -111.287 flat angles P-C4'-P energy: -77.459 tors. eta vs tors. theta energy: -166.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1650.089111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.089111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.089111 (E_RNA) where: Base-Base interactions energy: -1139.003 where: short stacking energy: -496.332 Base-Backbone interact. energy: -1.886 local terms energy: -509.200396 where: bonds (distance) C4'-P energy: -90.627 bonds (distance) P-C4' energy: -86.182 flat angles C4'-P-C4' energy: -102.457 flat angles P-C4'-P energy: -81.045 tors. eta vs tors. theta energy: -148.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1543.896698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.896698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.896698 (E_RNA) where: Base-Base interactions energy: -1070.506 where: short stacking energy: -465.733 Base-Backbone interact. energy: -4.256 local terms energy: -469.134367 where: bonds (distance) C4'-P energy: -86.875 bonds (distance) P-C4' energy: -87.493 flat angles C4'-P-C4' energy: -101.881 flat angles P-C4'-P energy: -64.451 tors. eta vs tors. theta energy: -128.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1499.421047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.421047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.421047 (E_RNA) where: Base-Base interactions energy: -1030.961 where: short stacking energy: -445.388 Base-Backbone interact. energy: -1.393 local terms energy: -467.067017 where: bonds (distance) C4'-P energy: -85.502 bonds (distance) P-C4' energy: -94.474 flat angles C4'-P-C4' energy: -90.583 flat angles P-C4'-P energy: -68.383 tors. eta vs tors. theta energy: -128.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1372.598617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.598617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.598617 (E_RNA) where: Base-Base interactions energy: -915.674 where: short stacking energy: -418.391 Base-Backbone interact. energy: -2.018 local terms energy: -454.906679 where: bonds (distance) C4'-P energy: -60.508 bonds (distance) P-C4' energy: -92.349 flat angles C4'-P-C4' energy: -107.116 flat angles P-C4'-P energy: -73.179 tors. eta vs tors. theta energy: -121.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1379.204039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.204039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.204039 (E_RNA) where: Base-Base interactions energy: -935.760 where: short stacking energy: -414.537 Base-Backbone interact. energy: -2.732 local terms energy: -440.712038 where: bonds (distance) C4'-P energy: -82.833 bonds (distance) P-C4' energy: -85.315 flat angles C4'-P-C4' energy: -87.543 flat angles P-C4'-P energy: -60.787 tors. eta vs tors. theta energy: -124.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1006.306123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.306123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.306123 (E_RNA) where: Base-Base interactions energy: -628.744 where: short stacking energy: -303.321 Base-Backbone interact. energy: -1.207 local terms energy: -376.354519 where: bonds (distance) C4'-P energy: -91.177 bonds (distance) P-C4' energy: -83.520 flat angles C4'-P-C4' energy: -82.963 flat angles P-C4'-P energy: -55.608 tors. eta vs tors. theta energy: -63.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -749.708202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.708202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.708202 (E_RNA) where: Base-Base interactions energy: -450.807 where: short stacking energy: -233.238 Base-Backbone interact. energy: -2.845 local terms energy: -296.055332 where: bonds (distance) C4'-P energy: -70.727 bonds (distance) P-C4' energy: -69.892 flat angles C4'-P-C4' energy: -75.503 flat angles P-C4'-P energy: -51.828 tors. eta vs tors. theta energy: -28.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -539.341033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.341033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.341033 (E_RNA) where: Base-Base interactions energy: -276.416 where: short stacking energy: -150.046 Base-Backbone interact. energy: 5.228 local terms energy: -268.153603 where: bonds (distance) C4'-P energy: -72.654 bonds (distance) P-C4' energy: -83.717 flat angles C4'-P-C4' energy: -67.142 flat angles P-C4'-P energy: -33.825 tors. eta vs tors. theta energy: -10.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -371.315519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.315519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.315519 (E_RNA) where: Base-Base interactions energy: -132.691 where: short stacking energy: -119.437 Base-Backbone interact. energy: -0.132 local terms energy: -238.492817 where: bonds (distance) C4'-P energy: -50.815 bonds (distance) P-C4' energy: -73.464 flat angles C4'-P-C4' energy: -67.024 flat angles P-C4'-P energy: -36.111 tors. eta vs tors. theta energy: -11.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1709.207865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.207865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.207865 (E_RNA) where: Base-Base interactions energy: -1172.505 where: short stacking energy: -501.727 Base-Backbone interact. energy: -2.850 local terms energy: -533.853690 where: bonds (distance) C4'-P energy: -93.648 bonds (distance) P-C4' energy: -88.128 flat angles C4'-P-C4' energy: -111.199 flat angles P-C4'-P energy: -82.672 tors. eta vs tors. theta energy: -158.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1628.749419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.749419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.749419 (E_RNA) where: Base-Base interactions energy: -1129.997 where: short stacking energy: -495.210 Base-Backbone interact. energy: -1.142 local terms energy: -497.610283 where: bonds (distance) C4'-P energy: -79.065 bonds (distance) P-C4' energy: -87.454 flat angles C4'-P-C4' energy: -103.698 flat angles P-C4'-P energy: -77.112 tors. eta vs tors. theta energy: -150.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1518.708390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.708390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.708390 (E_RNA) where: Base-Base interactions energy: -1069.014 where: short stacking energy: -470.924 Base-Backbone interact. energy: -4.047 local terms energy: -445.647009 where: bonds (distance) C4'-P energy: -80.491 bonds (distance) P-C4' energy: -82.112 flat angles C4'-P-C4' energy: -99.224 flat angles P-C4'-P energy: -50.168 tors. eta vs tors. theta energy: -133.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1517.638158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.638158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.638158 (E_RNA) where: Base-Base interactions energy: -1051.717 where: short stacking energy: -468.726 Base-Backbone interact. energy: -0.701 local terms energy: -465.220542 where: bonds (distance) C4'-P energy: -86.743 bonds (distance) P-C4' energy: -76.091 flat angles C4'-P-C4' energy: -106.689 flat angles P-C4'-P energy: -65.086 tors. eta vs tors. theta energy: -130.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1347.851334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.851334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.851334 (E_RNA) where: Base-Base interactions energy: -909.041 where: short stacking energy: -428.492 Base-Backbone interact. energy: 0.285 local terms energy: -439.095517 where: bonds (distance) C4'-P energy: -71.222 bonds (distance) P-C4' energy: -73.757 flat angles C4'-P-C4' energy: -104.378 flat angles P-C4'-P energy: -56.065 tors. eta vs tors. theta energy: -133.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1348.517629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.517629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.517629 (E_RNA) where: Base-Base interactions energy: -887.184 where: short stacking energy: -392.613 Base-Backbone interact. energy: -1.390 local terms energy: -459.943218 where: bonds (distance) C4'-P energy: -86.661 bonds (distance) P-C4' energy: -90.495 flat angles C4'-P-C4' energy: -102.646 flat angles P-C4'-P energy: -67.051 tors. eta vs tors. theta energy: -113.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1014.769729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.769729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.769729 (E_RNA) where: Base-Base interactions energy: -655.294 where: short stacking energy: -308.134 Base-Backbone interact. energy: 2.229 local terms energy: -361.704812 where: bonds (distance) C4'-P energy: -77.574 bonds (distance) P-C4' energy: -72.319 flat angles C4'-P-C4' energy: -79.048 flat angles P-C4'-P energy: -64.845 tors. eta vs tors. theta energy: -67.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -759.852083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.852083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.852083 (E_RNA) where: Base-Base interactions energy: -431.544 where: short stacking energy: -235.523 Base-Backbone interact. energy: -2.742 local terms energy: -325.565847 where: bonds (distance) C4'-P energy: -67.054 bonds (distance) P-C4' energy: -84.425 flat angles C4'-P-C4' energy: -75.028 flat angles P-C4'-P energy: -53.114 tors. eta vs tors. theta energy: -45.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -526.108802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.108802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.108802 (E_RNA) where: Base-Base interactions energy: -264.047 where: short stacking energy: -165.252 Base-Backbone interact. energy: 0.571 local terms energy: -262.633477 where: bonds (distance) C4'-P energy: -67.045 bonds (distance) P-C4' energy: -83.374 flat angles C4'-P-C4' energy: -65.507 flat angles P-C4'-P energy: -40.375 tors. eta vs tors. theta energy: -6.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -373.766601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.766601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.766601 (E_RNA) where: Base-Base interactions energy: -130.542 where: short stacking energy: -111.140 Base-Backbone interact. energy: 1.102 local terms energy: -244.326679 where: bonds (distance) C4'-P energy: -70.047 bonds (distance) P-C4' energy: -67.775 flat angles C4'-P-C4' energy: -80.563 flat angles P-C4'-P energy: -34.744 tors. eta vs tors. theta energy: 8.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1706.209750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.209750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.209750 (E_RNA) where: Base-Base interactions energy: -1185.605 where: short stacking energy: -520.122 Base-Backbone interact. energy: -1.121 local terms energy: -519.483265 where: bonds (distance) C4'-P energy: -96.087 bonds (distance) P-C4' energy: -80.866 flat angles C4'-P-C4' energy: -109.837 flat angles P-C4'-P energy: -67.047 tors. eta vs tors. theta energy: -165.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1639.659793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.659793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.659793 (E_RNA) where: Base-Base interactions energy: -1155.297 where: short stacking energy: -507.055 Base-Backbone interact. energy: -1.113 local terms energy: -483.249399 where: bonds (distance) C4'-P energy: -85.148 bonds (distance) P-C4' energy: -91.251 flat angles C4'-P-C4' energy: -98.151 flat angles P-C4'-P energy: -63.441 tors. eta vs tors. theta energy: -145.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1531.732776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.732776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.732776 (E_RNA) where: Base-Base interactions energy: -1042.433 where: short stacking energy: -449.655 Base-Backbone interact. energy: -2.957 local terms energy: -486.343299 where: bonds (distance) C4'-P energy: -88.446 bonds (distance) P-C4' energy: -97.592 flat angles C4'-P-C4' energy: -103.123 flat angles P-C4'-P energy: -68.526 tors. eta vs tors. theta energy: -128.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1547.365511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.365511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.365511 (E_RNA) where: Base-Base interactions energy: -1079.838 where: short stacking energy: -464.785 Base-Backbone interact. energy: 2.075 local terms energy: -469.602872 where: bonds (distance) C4'-P energy: -97.462 bonds (distance) P-C4' energy: -80.702 flat angles C4'-P-C4' energy: -85.599 flat angles P-C4'-P energy: -65.132 tors. eta vs tors. theta energy: -140.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1408.466713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.466713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.466713 (E_RNA) where: Base-Base interactions energy: -920.419 where: short stacking energy: -419.109 Base-Backbone interact. energy: -2.428 local terms energy: -485.619773 where: bonds (distance) C4'-P energy: -83.104 bonds (distance) P-C4' energy: -103.694 flat angles C4'-P-C4' energy: -103.859 flat angles P-C4'-P energy: -64.422 tors. eta vs tors. theta energy: -130.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1398.108941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.108941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.108941 (E_RNA) where: Base-Base interactions energy: -953.591 where: short stacking energy: -434.898 Base-Backbone interact. energy: -0.879 local terms energy: -443.638967 where: bonds (distance) C4'-P energy: -79.322 bonds (distance) P-C4' energy: -80.894 flat angles C4'-P-C4' energy: -95.598 flat angles P-C4'-P energy: -56.886 tors. eta vs tors. theta energy: -130.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1000.877408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.877408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.877408 (E_RNA) where: Base-Base interactions energy: -631.597 where: short stacking energy: -282.570 Base-Backbone interact. energy: -0.134 local terms energy: -369.146575 where: bonds (distance) C4'-P energy: -86.373 bonds (distance) P-C4' energy: -85.557 flat angles C4'-P-C4' energy: -78.240 flat angles P-C4'-P energy: -54.052 tors. eta vs tors. theta energy: -64.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -736.052898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.052898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.052898 (E_RNA) where: Base-Base interactions energy: -422.088 where: short stacking energy: -215.312 Base-Backbone interact. energy: 1.344 local terms energy: -315.309051 where: bonds (distance) C4'-P energy: -86.845 bonds (distance) P-C4' energy: -84.653 flat angles C4'-P-C4' energy: -69.916 flat angles P-C4'-P energy: -46.799 tors. eta vs tors. theta energy: -27.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -479.977323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.977323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.977323 (E_RNA) where: Base-Base interactions energy: -238.868 where: short stacking energy: -139.430 Base-Backbone interact. energy: -1.010 local terms energy: -240.098427 where: bonds (distance) C4'-P energy: -69.990 bonds (distance) P-C4' energy: -81.555 flat angles C4'-P-C4' energy: -53.491 flat angles P-C4'-P energy: -36.877 tors. eta vs tors. theta energy: 1.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -400.302689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.302689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.302689 (E_RNA) where: Base-Base interactions energy: -153.190 where: short stacking energy: -136.477 Base-Backbone interact. energy: 1.346 local terms energy: -248.458140 where: bonds (distance) C4'-P energy: -84.236 bonds (distance) P-C4' energy: -77.221 flat angles C4'-P-C4' energy: -62.406 flat angles P-C4'-P energy: -38.398 tors. eta vs tors. theta energy: 13.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1714.278033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.278033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.278033 (E_RNA) where: Base-Base interactions energy: -1181.361 where: short stacking energy: -529.256 Base-Backbone interact. energy: -0.544 local terms energy: -532.373949 where: bonds (distance) C4'-P energy: -94.568 bonds (distance) P-C4' energy: -92.809 flat angles C4'-P-C4' energy: -111.710 flat angles P-C4'-P energy: -67.551 tors. eta vs tors. theta energy: -165.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1672.602632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.602632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.602632 (E_RNA) where: Base-Base interactions energy: -1153.531 where: short stacking energy: -496.856 Base-Backbone interact. energy: -2.511 local terms energy: -516.561188 where: bonds (distance) C4'-P energy: -82.932 bonds (distance) P-C4' energy: -98.666 flat angles C4'-P-C4' energy: -105.907 flat angles P-C4'-P energy: -77.731 tors. eta vs tors. theta energy: -151.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1532.132963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.132963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.132963 (E_RNA) where: Base-Base interactions energy: -1059.893 where: short stacking energy: -462.170 Base-Backbone interact. energy: -4.160 local terms energy: -468.080338 where: bonds (distance) C4'-P energy: -93.640 bonds (distance) P-C4' energy: -91.563 flat angles C4'-P-C4' energy: -99.918 flat angles P-C4'-P energy: -57.595 tors. eta vs tors. theta energy: -125.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1526.984830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.984830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.984830 (E_RNA) where: Base-Base interactions energy: -1048.732 where: short stacking energy: -437.354 Base-Backbone interact. energy: -1.689 local terms energy: -476.563789 where: bonds (distance) C4'-P energy: -93.334 bonds (distance) P-C4' energy: -83.693 flat angles C4'-P-C4' energy: -93.529 flat angles P-C4'-P energy: -59.371 tors. eta vs tors. theta energy: -146.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -1373.232859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.232859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.232859 (E_RNA) where: Base-Base interactions energy: -934.176 where: short stacking energy: -420.164 Base-Backbone interact. energy: -2.605 local terms energy: -436.451574 where: bonds (distance) C4'-P energy: -78.210 bonds (distance) P-C4' energy: -70.950 flat angles C4'-P-C4' energy: -93.677 flat angles P-C4'-P energy: -65.056 tors. eta vs tors. theta energy: -128.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1430.478766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.478766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.478766 (E_RNA) where: Base-Base interactions energy: -993.163 where: short stacking energy: -444.820 Base-Backbone interact. energy: 0.401 local terms energy: -437.716566 where: bonds (distance) C4'-P energy: -69.594 bonds (distance) P-C4' energy: -85.056 flat angles C4'-P-C4' energy: -85.683 flat angles P-C4'-P energy: -67.104 tors. eta vs tors. theta energy: -130.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -999.254532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.254532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.254532 (E_RNA) where: Base-Base interactions energy: -637.841 where: short stacking energy: -282.325 Base-Backbone interact. energy: -3.828 local terms energy: -357.585438 where: bonds (distance) C4'-P energy: -72.379 bonds (distance) P-C4' energy: -80.622 flat angles C4'-P-C4' energy: -89.175 flat angles P-C4'-P energy: -52.927 tors. eta vs tors. theta energy: -62.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -695.523853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.523853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.523853 (E_RNA) where: Base-Base interactions energy: -407.373 where: short stacking energy: -227.349 Base-Backbone interact. energy: 1.828 local terms energy: -289.978930 where: bonds (distance) C4'-P energy: -75.387 bonds (distance) P-C4' energy: -81.569 flat angles C4'-P-C4' energy: -57.579 flat angles P-C4'-P energy: -40.709 tors. eta vs tors. theta energy: -34.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -499.095987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.095987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.095987 (E_RNA) where: Base-Base interactions energy: -233.744 where: short stacking energy: -154.901 Base-Backbone interact. energy: -0.357 local terms energy: -264.994699 where: bonds (distance) C4'-P energy: -77.748 bonds (distance) P-C4' energy: -80.461 flat angles C4'-P-C4' energy: -68.606 flat angles P-C4'-P energy: -40.291 tors. eta vs tors. theta energy: 2.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -423.885738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.885738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.885738 (E_RNA) where: Base-Base interactions energy: -186.938 where: short stacking energy: -109.702 Base-Backbone interact. energy: 6.848 local terms energy: -243.796146 where: bonds (distance) C4'-P energy: -73.943 bonds (distance) P-C4' energy: -82.873 flat angles C4'-P-C4' energy: -66.945 flat angles P-C4'-P energy: -40.514 tors. eta vs tors. theta energy: 20.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1715.154293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.154293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.154293 (E_RNA) where: Base-Base interactions energy: -1192.834 where: short stacking energy: -528.892 Base-Backbone interact. energy: -1.692 local terms energy: -520.628212 where: bonds (distance) C4'-P energy: -82.325 bonds (distance) P-C4' energy: -93.834 flat angles C4'-P-C4' energy: -111.745 flat angles P-C4'-P energy: -73.589 tors. eta vs tors. theta energy: -159.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1654.424999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.424999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.424999 (E_RNA) where: Base-Base interactions energy: -1129.361 where: short stacking energy: -498.523 Base-Backbone interact. energy: -2.741 local terms energy: -522.323025 where: bonds (distance) C4'-P energy: -91.864 bonds (distance) P-C4' energy: -97.769 flat angles C4'-P-C4' energy: -102.245 flat angles P-C4'-P energy: -72.292 tors. eta vs tors. theta energy: -158.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1570.970716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.970716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.970716 (E_RNA) where: Base-Base interactions energy: -1088.201 where: short stacking energy: -451.059 Base-Backbone interact. energy: 1.595 local terms energy: -484.364330 where: bonds (distance) C4'-P energy: -72.805 bonds (distance) P-C4' energy: -91.701 flat angles C4'-P-C4' energy: -106.309 flat angles P-C4'-P energy: -76.183 tors. eta vs tors. theta energy: -137.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1517.481714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1517.481714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1517.481714 (E_RNA) where: Base-Base interactions energy: -1045.878 where: short stacking energy: -443.947 Base-Backbone interact. energy: -0.460 local terms energy: -471.144423 where: bonds (distance) C4'-P energy: -89.380 bonds (distance) P-C4' energy: -91.037 flat angles C4'-P-C4' energy: -104.846 flat angles P-C4'-P energy: -57.259 tors. eta vs tors. theta energy: -128.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -1431.684169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.684169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.684169 (E_RNA) where: Base-Base interactions energy: -997.581 where: short stacking energy: -431.844 Base-Backbone interact. energy: -0.708 local terms energy: -433.394904 where: bonds (distance) C4'-P energy: -78.421 bonds (distance) P-C4' energy: -73.353 flat angles C4'-P-C4' energy: -95.616 flat angles P-C4'-P energy: -65.540 tors. eta vs tors. theta energy: -120.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1331.089427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.089427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.089427 (E_RNA) where: Base-Base interactions energy: -891.006 where: short stacking energy: -396.710 Base-Backbone interact. energy: -0.427 local terms energy: -439.656359 where: bonds (distance) C4'-P energy: -78.245 bonds (distance) P-C4' energy: -76.862 flat angles C4'-P-C4' energy: -105.733 flat angles P-C4'-P energy: -59.049 tors. eta vs tors. theta energy: -119.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1014.153740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.153740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.153740 (E_RNA) where: Base-Base interactions energy: -657.187 where: short stacking energy: -297.892 Base-Backbone interact. energy: -3.985 local terms energy: -352.981046 where: bonds (distance) C4'-P energy: -74.897 bonds (distance) P-C4' energy: -81.380 flat angles C4'-P-C4' energy: -85.025 flat angles P-C4'-P energy: -55.529 tors. eta vs tors. theta energy: -56.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -644.088371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.088371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.088371 (E_RNA) where: Base-Base interactions energy: -320.645 where: short stacking energy: -166.666 Base-Backbone interact. energy: 3.788 local terms energy: -327.231147 where: bonds (distance) C4'-P energy: -80.426 bonds (distance) P-C4' energy: -81.740 flat angles C4'-P-C4' energy: -83.916 flat angles P-C4'-P energy: -63.080 tors. eta vs tors. theta energy: -18.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -526.845789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.845789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.845789 (E_RNA) where: Base-Base interactions energy: -261.697 where: short stacking energy: -177.732 Base-Backbone interact. energy: -0.896 local terms energy: -264.253178 where: bonds (distance) C4'-P energy: -75.824 bonds (distance) P-C4' energy: -78.378 flat angles C4'-P-C4' energy: -69.427 flat angles P-C4'-P energy: -20.670 tors. eta vs tors. theta energy: -19.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -444.946041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.946041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.946041 (E_RNA) where: Base-Base interactions energy: -182.426 where: short stacking energy: -137.268 Base-Backbone interact. energy: 3.980 local terms energy: -266.499848 where: bonds (distance) C4'-P energy: -91.127 bonds (distance) P-C4' energy: -70.676 flat angles C4'-P-C4' energy: -63.911 flat angles P-C4'-P energy: -40.272 tors. eta vs tors. theta energy: -0.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1714.865804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.865804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.865804 (E_RNA) where: Base-Base interactions energy: -1168.794 where: short stacking energy: -516.906 Base-Backbone interact. energy: -0.979 local terms energy: -545.092238 where: bonds (distance) C4'-P energy: -83.191 bonds (distance) P-C4' energy: -100.556 flat angles C4'-P-C4' energy: -108.890 flat angles P-C4'-P energy: -84.657 tors. eta vs tors. theta energy: -167.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1647.448664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.448664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.448664 (E_RNA) where: Base-Base interactions energy: -1139.541 where: short stacking energy: -499.046 Base-Backbone interact. energy: 0.010 local terms energy: -507.917123 where: bonds (distance) C4'-P energy: -85.494 bonds (distance) P-C4' energy: -97.826 flat angles C4'-P-C4' energy: -106.183 flat angles P-C4'-P energy: -73.822 tors. eta vs tors. theta energy: -144.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1563.876294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.876294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.876294 (E_RNA) where: Base-Base interactions energy: -1080.418 where: short stacking energy: -450.914 Base-Backbone interact. energy: -1.071 local terms energy: -482.387162 where: bonds (distance) C4'-P energy: -85.456 bonds (distance) P-C4' energy: -97.961 flat angles C4'-P-C4' energy: -102.698 flat angles P-C4'-P energy: -67.742 tors. eta vs tors. theta energy: -128.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1491.816209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.816209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.816209 (E_RNA) where: Base-Base interactions energy: -1016.522 where: short stacking energy: -429.684 Base-Backbone interact. energy: 0.262 local terms energy: -475.555916 where: bonds (distance) C4'-P energy: -87.620 bonds (distance) P-C4' energy: -88.639 flat angles C4'-P-C4' energy: -96.639 flat angles P-C4'-P energy: -77.176 tors. eta vs tors. theta energy: -125.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1432.170141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.170141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.170141 (E_RNA) where: Base-Base interactions energy: -980.835 where: short stacking energy: -409.775 Base-Backbone interact. energy: -2.071 local terms energy: -449.263713 where: bonds (distance) C4'-P energy: -78.128 bonds (distance) P-C4' energy: -87.029 flat angles C4'-P-C4' energy: -93.026 flat angles P-C4'-P energy: -63.844 tors. eta vs tors. theta energy: -127.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1355.332556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.332556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.332556 (E_RNA) where: Base-Base interactions energy: -914.492 where: short stacking energy: -438.144 Base-Backbone interact. energy: -1.051 local terms energy: -439.789939 where: bonds (distance) C4'-P energy: -69.802 bonds (distance) P-C4' energy: -80.151 flat angles C4'-P-C4' energy: -97.751 flat angles P-C4'-P energy: -61.759 tors. eta vs tors. theta energy: -130.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -986.202653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.202653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.202653 (E_RNA) where: Base-Base interactions energy: -643.631 where: short stacking energy: -290.697 Base-Backbone interact. energy: 0.613 local terms energy: -343.184855 where: bonds (distance) C4'-P energy: -60.654 bonds (distance) P-C4' energy: -84.288 flat angles C4'-P-C4' energy: -83.072 flat angles P-C4'-P energy: -45.832 tors. eta vs tors. theta energy: -69.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -663.820086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.820086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.820086 (E_RNA) where: Base-Base interactions energy: -373.135 where: short stacking energy: -197.815 Base-Backbone interact. energy: 2.709 local terms energy: -293.394179 where: bonds (distance) C4'-P energy: -74.622 bonds (distance) P-C4' energy: -75.315 flat angles C4'-P-C4' energy: -81.766 flat angles P-C4'-P energy: -40.505 tors. eta vs tors. theta energy: -21.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -536.191145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.191145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.191145 (E_RNA) where: Base-Base interactions energy: -238.895 where: short stacking energy: -152.787 Base-Backbone interact. energy: 0.739 local terms energy: -298.035102 where: bonds (distance) C4'-P energy: -75.935 bonds (distance) P-C4' energy: -95.845 flat angles C4'-P-C4' energy: -71.819 flat angles P-C4'-P energy: -32.859 tors. eta vs tors. theta energy: -21.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -464.170327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.170327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.170327 (E_RNA) where: Base-Base interactions energy: -195.969 where: short stacking energy: -129.249 Base-Backbone interact. energy: -3.823 local terms energy: -264.378174 where: bonds (distance) C4'-P energy: -76.860 bonds (distance) P-C4' energy: -77.627 flat angles C4'-P-C4' energy: -84.335 flat angles P-C4'-P energy: -36.799 tors. eta vs tors. theta energy: 11.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1723.808935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.808935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.808935 (E_RNA) where: Base-Base interactions energy: -1187.315 where: short stacking energy: -498.218 Base-Backbone interact. energy: -0.197 local terms energy: -536.296525 where: bonds (distance) C4'-P energy: -93.868 bonds (distance) P-C4' energy: -105.540 flat angles C4'-P-C4' energy: -102.963 flat angles P-C4'-P energy: -79.180 tors. eta vs tors. theta energy: -154.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1671.802467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.802467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.802467 (E_RNA) where: Base-Base interactions energy: -1146.360 where: short stacking energy: -499.036 Base-Backbone interact. energy: -2.672 local terms energy: -522.771172 where: bonds (distance) C4'-P energy: -83.245 bonds (distance) P-C4' energy: -98.636 flat angles C4'-P-C4' energy: -111.764 flat angles P-C4'-P energy: -72.963 tors. eta vs tors. theta energy: -156.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1534.481797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.481797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.481797 (E_RNA) where: Base-Base interactions energy: -1062.040 where: short stacking energy: -469.345 Base-Backbone interact. energy: -1.498 local terms energy: -470.943286 where: bonds (distance) C4'-P energy: -78.915 bonds (distance) P-C4' energy: -87.370 flat angles C4'-P-C4' energy: -103.442 flat angles P-C4'-P energy: -72.512 tors. eta vs tors. theta energy: -128.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1532.038149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.038149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.038149 (E_RNA) where: Base-Base interactions energy: -1067.140 where: short stacking energy: -454.257 Base-Backbone interact. energy: -2.412 local terms energy: -462.486075 where: bonds (distance) C4'-P energy: -87.252 bonds (distance) P-C4' energy: -78.745 flat angles C4'-P-C4' energy: -102.721 flat angles P-C4'-P energy: -55.169 tors. eta vs tors. theta energy: -138.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1410.148338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.148338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.148338 (E_RNA) where: Base-Base interactions energy: -964.967 where: short stacking energy: -395.225 Base-Backbone interact. energy: -2.313 local terms energy: -442.868028 where: bonds (distance) C4'-P energy: -91.311 bonds (distance) P-C4' energy: -82.021 flat angles C4'-P-C4' energy: -104.961 flat angles P-C4'-P energy: -59.703 tors. eta vs tors. theta energy: -104.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1363.383548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.383548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.383548 (E_RNA) where: Base-Base interactions energy: -926.972 where: short stacking energy: -429.134 Base-Backbone interact. energy: -2.692 local terms energy: -433.719819 where: bonds (distance) C4'-P energy: -74.970 bonds (distance) P-C4' energy: -83.650 flat angles C4'-P-C4' energy: -96.816 flat angles P-C4'-P energy: -55.277 tors. eta vs tors. theta energy: -123.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -968.887635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.887635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.887635 (E_RNA) where: Base-Base interactions energy: -603.212 where: short stacking energy: -301.698 Base-Backbone interact. energy: -3.244 local terms energy: -362.431613 where: bonds (distance) C4'-P energy: -88.850 bonds (distance) P-C4' energy: -59.260 flat angles C4'-P-C4' energy: -94.400 flat angles P-C4'-P energy: -59.962 tors. eta vs tors. theta energy: -59.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -664.754634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.754634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.754634 (E_RNA) where: Base-Base interactions energy: -390.237 where: short stacking energy: -225.327 Base-Backbone interact. energy: 1.676 local terms energy: -276.193148 where: bonds (distance) C4'-P energy: -81.599 bonds (distance) P-C4' energy: -68.334 flat angles C4'-P-C4' energy: -70.583 flat angles P-C4'-P energy: -44.764 tors. eta vs tors. theta energy: -10.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -496.973974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.973974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.973974 (E_RNA) where: Base-Base interactions energy: -233.266 where: short stacking energy: -162.336 Base-Backbone interact. energy: 3.100 local terms energy: -266.807288 where: bonds (distance) C4'-P energy: -79.432 bonds (distance) P-C4' energy: -80.193 flat angles C4'-P-C4' energy: -77.380 flat angles P-C4'-P energy: -25.977 tors. eta vs tors. theta energy: -3.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -491.294781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.294781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.294781 (E_RNA) where: Base-Base interactions energy: -213.973 where: short stacking energy: -111.746 Base-Backbone interact. energy: -0.545 local terms energy: -276.777122 where: bonds (distance) C4'-P energy: -71.354 bonds (distance) P-C4' energy: -76.994 flat angles C4'-P-C4' energy: -83.270 flat angles P-C4'-P energy: -41.088 tors. eta vs tors. theta energy: -4.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1712.291567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.291567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.291567 (E_RNA) where: Base-Base interactions energy: -1196.958 where: short stacking energy: -500.941 Base-Backbone interact. energy: -1.396 local terms energy: -513.938019 where: bonds (distance) C4'-P energy: -86.213 bonds (distance) P-C4' energy: -93.880 flat angles C4'-P-C4' energy: -101.967 flat angles P-C4'-P energy: -75.221 tors. eta vs tors. theta energy: -156.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1589.321500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.321500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.321500 (E_RNA) where: Base-Base interactions energy: -1122.052 where: short stacking energy: -491.757 Base-Backbone interact. energy: -1.730 local terms energy: -465.539944 where: bonds (distance) C4'-P energy: -77.203 bonds (distance) P-C4' energy: -82.375 flat angles C4'-P-C4' energy: -107.076 flat angles P-C4'-P energy: -68.131 tors. eta vs tors. theta energy: -130.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1609.768644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.768644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.768644 (E_RNA) where: Base-Base interactions energy: -1095.535 where: short stacking energy: -466.122 Base-Backbone interact. energy: -1.480 local terms energy: -512.753411 where: bonds (distance) C4'-P energy: -97.752 bonds (distance) P-C4' energy: -87.796 flat angles C4'-P-C4' energy: -105.638 flat angles P-C4'-P energy: -75.769 tors. eta vs tors. theta energy: -145.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1513.826802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.826802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.826802 (E_RNA) where: Base-Base interactions energy: -1038.333 where: short stacking energy: -445.365 Base-Backbone interact. energy: -1.879 local terms energy: -473.614564 where: bonds (distance) C4'-P energy: -74.181 bonds (distance) P-C4' energy: -91.758 flat angles C4'-P-C4' energy: -111.405 flat angles P-C4'-P energy: -66.966 tors. eta vs tors. theta energy: -129.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1418.462343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.462343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.462343 (E_RNA) where: Base-Base interactions energy: -955.042 where: short stacking energy: -412.619 Base-Backbone interact. energy: -0.649 local terms energy: -462.771891 where: bonds (distance) C4'-P energy: -90.588 bonds (distance) P-C4' energy: -84.327 flat angles C4'-P-C4' energy: -90.153 flat angles P-C4'-P energy: -70.274 tors. eta vs tors. theta energy: -127.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1366.947245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.947245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.947245 (E_RNA) where: Base-Base interactions energy: -923.457 where: short stacking energy: -435.806 Base-Backbone interact. energy: -2.924 local terms energy: -440.565789 where: bonds (distance) C4'-P energy: -90.019 bonds (distance) P-C4' energy: -78.165 flat angles C4'-P-C4' energy: -87.735 flat angles P-C4'-P energy: -59.564 tors. eta vs tors. theta energy: -125.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -984.788872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.788872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.788872 (E_RNA) where: Base-Base interactions energy: -660.592 where: short stacking energy: -307.281 Base-Backbone interact. energy: -0.315 local terms energy: -323.881718 where: bonds (distance) C4'-P energy: -58.732 bonds (distance) P-C4' energy: -78.052 flat angles C4'-P-C4' energy: -69.803 flat angles P-C4'-P energy: -57.105 tors. eta vs tors. theta energy: -60.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -642.270395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.270395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.270395 (E_RNA) where: Base-Base interactions energy: -337.010 where: short stacking energy: -183.267 Base-Backbone interact. energy: 2.220 local terms energy: -307.480884 where: bonds (distance) C4'-P energy: -85.806 bonds (distance) P-C4' energy: -79.786 flat angles C4'-P-C4' energy: -78.845 flat angles P-C4'-P energy: -55.631 tors. eta vs tors. theta energy: -7.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -483.645447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.645447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.645447 (E_RNA) where: Base-Base interactions energy: -223.137 where: short stacking energy: -157.239 Base-Backbone interact. energy: 1.729 local terms energy: -262.237200 where: bonds (distance) C4'-P energy: -70.266 bonds (distance) P-C4' energy: -78.804 flat angles C4'-P-C4' energy: -63.472 flat angles P-C4'-P energy: -35.592 tors. eta vs tors. theta energy: -14.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -506.634276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.634276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.634276 (E_RNA) where: Base-Base interactions energy: -250.811 where: short stacking energy: -130.152 Base-Backbone interact. energy: -1.483 local terms energy: -254.339802 where: bonds (distance) C4'-P energy: -64.296 bonds (distance) P-C4' energy: -65.402 flat angles C4'-P-C4' energy: -80.952 flat angles P-C4'-P energy: -41.113 tors. eta vs tors. theta energy: -2.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1729.263864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.263864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.263864 (E_RNA) where: Base-Base interactions energy: -1187.237 where: short stacking energy: -508.637 Base-Backbone interact. energy: -4.709 local terms energy: -537.317256 where: bonds (distance) C4'-P energy: -88.627 bonds (distance) P-C4' energy: -105.203 flat angles C4'-P-C4' energy: -109.191 flat angles P-C4'-P energy: -71.870 tors. eta vs tors. theta energy: -162.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1585.834058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.834058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.834058 (E_RNA) where: Base-Base interactions energy: -1102.427 where: short stacking energy: -450.727 Base-Backbone interact. energy: -1.127 local terms energy: -482.280325 where: bonds (distance) C4'-P energy: -94.010 bonds (distance) P-C4' energy: -88.727 flat angles C4'-P-C4' energy: -97.358 flat angles P-C4'-P energy: -68.991 tors. eta vs tors. theta energy: -133.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1624.856914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.856914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.856914 (E_RNA) where: Base-Base interactions energy: -1119.584 where: short stacking energy: -481.194 Base-Backbone interact. energy: 0.935 local terms energy: -506.208573 where: bonds (distance) C4'-P energy: -90.981 bonds (distance) P-C4' energy: -90.561 flat angles C4'-P-C4' energy: -113.729 flat angles P-C4'-P energy: -62.932 tors. eta vs tors. theta energy: -148.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1519.159882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.159882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.159882 (E_RNA) where: Base-Base interactions energy: -1045.281 where: short stacking energy: -469.553 Base-Backbone interact. energy: -0.533 local terms energy: -473.346228 where: bonds (distance) C4'-P energy: -76.887 bonds (distance) P-C4' energy: -83.123 flat angles C4'-P-C4' energy: -109.514 flat angles P-C4'-P energy: -67.957 tors. eta vs tors. theta energy: -135.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1378.449062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.449062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.449062 (E_RNA) where: Base-Base interactions energy: -920.585 where: short stacking energy: -390.571 Base-Backbone interact. energy: -2.608 local terms energy: -455.256481 where: bonds (distance) C4'-P energy: -78.030 bonds (distance) P-C4' energy: -84.908 flat angles C4'-P-C4' energy: -100.983 flat angles P-C4'-P energy: -71.186 tors. eta vs tors. theta energy: -120.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1354.498356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.498356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.498356 (E_RNA) where: Base-Base interactions energy: -929.146 where: short stacking energy: -390.237 Base-Backbone interact. energy: -1.913 local terms energy: -423.440073 where: bonds (distance) C4'-P energy: -79.266 bonds (distance) P-C4' energy: -72.848 flat angles C4'-P-C4' energy: -103.702 flat angles P-C4'-P energy: -50.808 tors. eta vs tors. theta energy: -116.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -980.163031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.163031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.163031 (E_RNA) where: Base-Base interactions energy: -635.621 where: short stacking energy: -297.364 Base-Backbone interact. energy: -1.983 local terms energy: -342.559225 where: bonds (distance) C4'-P energy: -69.116 bonds (distance) P-C4' energy: -83.763 flat angles C4'-P-C4' energy: -82.954 flat angles P-C4'-P energy: -49.633 tors. eta vs tors. theta energy: -57.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -669.185134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.185134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.185134 (E_RNA) where: Base-Base interactions energy: -354.118 where: short stacking energy: -197.260 Base-Backbone interact. energy: 3.019 local terms energy: -318.086854 where: bonds (distance) C4'-P energy: -86.790 bonds (distance) P-C4' energy: -76.787 flat angles C4'-P-C4' energy: -64.800 flat angles P-C4'-P energy: -54.475 tors. eta vs tors. theta energy: -35.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -534.342003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.342003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.342003 (E_RNA) where: Base-Base interactions energy: -268.606 where: short stacking energy: -170.894 Base-Backbone interact. energy: -1.418 local terms energy: -264.318322 where: bonds (distance) C4'-P energy: -63.125 bonds (distance) P-C4' energy: -81.867 flat angles C4'-P-C4' energy: -69.671 flat angles P-C4'-P energy: -46.902 tors. eta vs tors. theta energy: -2.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -472.646389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.646389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.646389 (E_RNA) where: Base-Base interactions energy: -218.515 where: short stacking energy: -132.566 Base-Backbone interact. energy: 4.867 local terms energy: -258.998512 where: bonds (distance) C4'-P energy: -68.023 bonds (distance) P-C4' energy: -76.715 flat angles C4'-P-C4' energy: -73.428 flat angles P-C4'-P energy: -43.072 tors. eta vs tors. theta energy: 2.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1720.524730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.524730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.524730 (E_RNA) where: Base-Base interactions energy: -1173.138 where: short stacking energy: -510.463 Base-Backbone interact. energy: -3.412 local terms energy: -543.974336 where: bonds (distance) C4'-P energy: -94.551 bonds (distance) P-C4' energy: -102.128 flat angles C4'-P-C4' energy: -108.558 flat angles P-C4'-P energy: -80.607 tors. eta vs tors. theta energy: -158.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1644.495754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.495754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.495754 (E_RNA) where: Base-Base interactions energy: -1134.065 where: short stacking energy: -496.359 Base-Backbone interact. energy: -0.130 local terms energy: -510.301289 where: bonds (distance) C4'-P energy: -89.083 bonds (distance) P-C4' energy: -89.308 flat angles C4'-P-C4' energy: -109.437 flat angles P-C4'-P energy: -68.992 tors. eta vs tors. theta energy: -153.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1566.167300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.167300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.167300 (E_RNA) where: Base-Base interactions energy: -1088.040 where: short stacking energy: -470.216 Base-Backbone interact. energy: -1.811 local terms energy: -476.316136 where: bonds (distance) C4'-P energy: -79.077 bonds (distance) P-C4' energy: -90.695 flat angles C4'-P-C4' energy: -104.424 flat angles P-C4'-P energy: -60.844 tors. eta vs tors. theta energy: -141.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1516.623191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.623191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.623191 (E_RNA) where: Base-Base interactions energy: -1044.500 where: short stacking energy: -443.574 Base-Backbone interact. energy: -1.800 local terms energy: -470.323372 where: bonds (distance) C4'-P energy: -84.231 bonds (distance) P-C4' energy: -89.765 flat angles C4'-P-C4' energy: -97.892 flat angles P-C4'-P energy: -69.707 tors. eta vs tors. theta energy: -128.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1425.559858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.559858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.559858 (E_RNA) where: Base-Base interactions energy: -967.471 where: short stacking energy: -432.337 Base-Backbone interact. energy: -2.727 local terms energy: -455.361363 where: bonds (distance) C4'-P energy: -85.732 bonds (distance) P-C4' energy: -86.216 flat angles C4'-P-C4' energy: -90.542 flat angles P-C4'-P energy: -58.906 tors. eta vs tors. theta energy: -133.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1365.984959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.984959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.984959 (E_RNA) where: Base-Base interactions energy: -936.063 where: short stacking energy: -409.319 Base-Backbone interact. energy: 0.149 local terms energy: -430.070948 where: bonds (distance) C4'-P energy: -81.895 bonds (distance) P-C4' energy: -87.796 flat angles C4'-P-C4' energy: -87.706 flat angles P-C4'-P energy: -56.991 tors. eta vs tors. theta energy: -115.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -992.503587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.503587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.503587 (E_RNA) where: Base-Base interactions energy: -625.111 where: short stacking energy: -292.436 Base-Backbone interact. energy: -0.402 local terms energy: -366.990673 where: bonds (distance) C4'-P energy: -84.648 bonds (distance) P-C4' energy: -75.157 flat angles C4'-P-C4' energy: -83.659 flat angles P-C4'-P energy: -57.021 tors. eta vs tors. theta energy: -66.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -663.326647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.326647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.326647 (E_RNA) where: Base-Base interactions energy: -364.587 where: short stacking energy: -190.711 Base-Backbone interact. energy: 1.696 local terms energy: -300.434865 where: bonds (distance) C4'-P energy: -78.861 bonds (distance) P-C4' energy: -65.671 flat angles C4'-P-C4' energy: -80.032 flat angles P-C4'-P energy: -60.388 tors. eta vs tors. theta energy: -15.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -516.754278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.754278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.754278 (E_RNA) where: Base-Base interactions energy: -248.299 where: short stacking energy: -160.850 Base-Backbone interact. energy: 1.932 local terms energy: -270.387595 where: bonds (distance) C4'-P energy: -79.245 bonds (distance) P-C4' energy: -89.919 flat angles C4'-P-C4' energy: -57.436 flat angles P-C4'-P energy: -36.811 tors. eta vs tors. theta energy: -6.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -459.683020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.683020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.683020 (E_RNA) where: Base-Base interactions energy: -210.169 where: short stacking energy: -137.264 Base-Backbone interact. energy: -2.061 local terms energy: -247.453148 where: bonds (distance) C4'-P energy: -55.198 bonds (distance) P-C4' energy: -95.516 flat angles C4'-P-C4' energy: -48.019 flat angles P-C4'-P energy: -49.979 tors. eta vs tors. theta energy: 1.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1703.783501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.783501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.783501 (E_RNA) where: Base-Base interactions energy: -1183.867 where: short stacking energy: -523.765 Base-Backbone interact. energy: -1.203 local terms energy: -518.713636 where: bonds (distance) C4'-P energy: -86.503 bonds (distance) P-C4' energy: -94.905 flat angles C4'-P-C4' energy: -108.616 flat angles P-C4'-P energy: -67.942 tors. eta vs tors. theta energy: -160.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1638.290392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.290392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.290392 (E_RNA) where: Base-Base interactions energy: -1118.377 where: short stacking energy: -488.065 Base-Backbone interact. energy: -3.580 local terms energy: -516.333150 where: bonds (distance) C4'-P energy: -93.154 bonds (distance) P-C4' energy: -90.589 flat angles C4'-P-C4' energy: -109.782 flat angles P-C4'-P energy: -72.538 tors. eta vs tors. theta energy: -150.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1523.743213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.743213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.743213 (E_RNA) where: Base-Base interactions energy: -1034.663 where: short stacking energy: -441.321 Base-Backbone interact. energy: -1.846 local terms energy: -487.233454 where: bonds (distance) C4'-P energy: -101.281 bonds (distance) P-C4' energy: -80.249 flat angles C4'-P-C4' energy: -109.619 flat angles P-C4'-P energy: -67.204 tors. eta vs tors. theta energy: -128.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1498.705753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.705753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.705753 (E_RNA) where: Base-Base interactions energy: -1028.015 where: short stacking energy: -444.665 Base-Backbone interact. energy: -0.767 local terms energy: -469.923807 where: bonds (distance) C4'-P energy: -84.175 bonds (distance) P-C4' energy: -92.286 flat angles C4'-P-C4' energy: -92.262 flat angles P-C4'-P energy: -72.045 tors. eta vs tors. theta energy: -129.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1452.883248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.883248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.883248 (E_RNA) where: Base-Base interactions energy: -976.524 where: short stacking energy: -445.649 Base-Backbone interact. energy: -2.559 local terms energy: -473.800376 where: bonds (distance) C4'-P energy: -83.069 bonds (distance) P-C4' energy: -96.905 flat angles C4'-P-C4' energy: -105.460 flat angles P-C4'-P energy: -61.058 tors. eta vs tors. theta energy: -127.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1320.675860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.675860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.675860 (E_RNA) where: Base-Base interactions energy: -901.245 where: short stacking energy: -409.778 Base-Backbone interact. energy: 2.005 local terms energy: -421.436370 where: bonds (distance) C4'-P energy: -84.013 bonds (distance) P-C4' energy: -84.426 flat angles C4'-P-C4' energy: -81.049 flat angles P-C4'-P energy: -60.108 tors. eta vs tors. theta energy: -111.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -986.196164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.196164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.196164 (E_RNA) where: Base-Base interactions energy: -637.726 where: short stacking energy: -321.296 Base-Backbone interact. energy: -0.964 local terms energy: -347.506236 where: bonds (distance) C4'-P energy: -70.456 bonds (distance) P-C4' energy: -79.974 flat angles C4'-P-C4' energy: -79.838 flat angles P-C4'-P energy: -47.845 tors. eta vs tors. theta energy: -69.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -654.879523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.879523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.879523 (E_RNA) where: Base-Base interactions energy: -374.613 where: short stacking energy: -211.233 Base-Backbone interact. energy: -2.373 local terms energy: -277.892884 where: bonds (distance) C4'-P energy: -81.632 bonds (distance) P-C4' energy: -67.070 flat angles C4'-P-C4' energy: -73.596 flat angles P-C4'-P energy: -27.609 tors. eta vs tors. theta energy: -27.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -512.600527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.600527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.600527 (E_RNA) where: Base-Base interactions energy: -271.966 where: short stacking energy: -178.274 Base-Backbone interact. energy: 0.178 local terms energy: -240.812771 where: bonds (distance) C4'-P energy: -70.656 bonds (distance) P-C4' energy: -75.323 flat angles C4'-P-C4' energy: -60.435 flat angles P-C4'-P energy: -27.645 tors. eta vs tors. theta energy: -6.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -488.463328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.463328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.463328 (E_RNA) where: Base-Base interactions energy: -231.620 where: short stacking energy: -143.555 Base-Backbone interact. energy: -0.432 local terms energy: -256.410936 where: bonds (distance) C4'-P energy: -67.782 bonds (distance) P-C4' energy: -75.370 flat angles C4'-P-C4' energy: -56.343 flat angles P-C4'-P energy: -50.960 tors. eta vs tors. theta energy: -5.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1714.330023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.330023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.330023 (E_RNA) where: Base-Base interactions energy: -1176.583 where: short stacking energy: -502.138 Base-Backbone interact. energy: -2.499 local terms energy: -535.248045 where: bonds (distance) C4'-P energy: -92.506 bonds (distance) P-C4' energy: -101.272 flat angles C4'-P-C4' energy: -106.790 flat angles P-C4'-P energy: -73.007 tors. eta vs tors. theta energy: -161.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1666.051701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.051701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.051701 (E_RNA) where: Base-Base interactions energy: -1144.295 where: short stacking energy: -501.023 Base-Backbone interact. energy: -3.508 local terms energy: -518.248289 where: bonds (distance) C4'-P energy: -91.036 bonds (distance) P-C4' energy: -99.367 flat angles C4'-P-C4' energy: -104.414 flat angles P-C4'-P energy: -71.221 tors. eta vs tors. theta energy: -152.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1539.288345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.288345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.288345 (E_RNA) where: Base-Base interactions energy: -1049.280 where: short stacking energy: -463.406 Base-Backbone interact. energy: -0.900 local terms energy: -489.107881 where: bonds (distance) C4'-P energy: -92.512 bonds (distance) P-C4' energy: -92.737 flat angles C4'-P-C4' energy: -97.779 flat angles P-C4'-P energy: -67.551 tors. eta vs tors. theta energy: -138.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1538.092141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.092141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.092141 (E_RNA) where: Base-Base interactions energy: -1053.346 where: short stacking energy: -466.587 Base-Backbone interact. energy: -1.871 local terms energy: -482.874620 where: bonds (distance) C4'-P energy: -83.483 bonds (distance) P-C4' energy: -90.340 flat angles C4'-P-C4' energy: -103.946 flat angles P-C4'-P energy: -59.591 tors. eta vs tors. theta energy: -145.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1425.014369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.014369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.014369 (E_RNA) where: Base-Base interactions energy: -984.022 where: short stacking energy: -453.368 Base-Backbone interact. energy: -2.331 local terms energy: -438.661490 where: bonds (distance) C4'-P energy: -78.319 bonds (distance) P-C4' energy: -85.670 flat angles C4'-P-C4' energy: -76.643 flat angles P-C4'-P energy: -61.741 tors. eta vs tors. theta energy: -136.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1307.430301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.430301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.430301 (E_RNA) where: Base-Base interactions energy: -897.481 where: short stacking energy: -398.457 Base-Backbone interact. energy: -0.920 local terms energy: -409.029224 where: bonds (distance) C4'-P energy: -75.717 bonds (distance) P-C4' energy: -78.265 flat angles C4'-P-C4' energy: -86.310 flat angles P-C4'-P energy: -61.620 tors. eta vs tors. theta energy: -107.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -982.522189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.522189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.522189 (E_RNA) where: Base-Base interactions energy: -623.421 where: short stacking energy: -290.934 Base-Backbone interact. energy: -0.020 local terms energy: -359.080590 where: bonds (distance) C4'-P energy: -73.927 bonds (distance) P-C4' energy: -84.845 flat angles C4'-P-C4' energy: -75.228 flat angles P-C4'-P energy: -64.316 tors. eta vs tors. theta energy: -60.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -689.937520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.937520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.937520 (E_RNA) where: Base-Base interactions energy: -391.744 where: short stacking energy: -207.845 Base-Backbone interact. energy: 2.150 local terms energy: -300.343439 where: bonds (distance) C4'-P energy: -82.066 bonds (distance) P-C4' energy: -79.368 flat angles C4'-P-C4' energy: -74.926 flat angles P-C4'-P energy: -43.593 tors. eta vs tors. theta energy: -20.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -564.349493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.349493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.349493 (E_RNA) where: Base-Base interactions energy: -257.011 where: short stacking energy: -171.352 Base-Backbone interact. energy: -2.207 local terms energy: -305.131061 where: bonds (distance) C4'-P energy: -68.538 bonds (distance) P-C4' energy: -76.305 flat angles C4'-P-C4' energy: -93.440 flat angles P-C4'-P energy: -47.024 tors. eta vs tors. theta energy: -19.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -503.786147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.786147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.786147 (E_RNA) where: Base-Base interactions energy: -245.108 where: short stacking energy: -143.625 Base-Backbone interact. energy: -0.603 local terms energy: -258.074728 where: bonds (distance) C4'-P energy: -67.283 bonds (distance) P-C4' energy: -81.627 flat angles C4'-P-C4' energy: -74.186 flat angles P-C4'-P energy: -34.182 tors. eta vs tors. theta energy: -0.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1724.100357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.100357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.100357 (E_RNA) where: Base-Base interactions energy: -1178.704 where: short stacking energy: -524.021 Base-Backbone interact. energy: -2.281 local terms energy: -543.116120 where: bonds (distance) C4'-P energy: -104.369 bonds (distance) P-C4' energy: -97.585 flat angles C4'-P-C4' energy: -112.982 flat angles P-C4'-P energy: -70.747 tors. eta vs tors. theta energy: -157.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1639.582668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.582668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.582668 (E_RNA) where: Base-Base interactions energy: -1115.571 where: short stacking energy: -481.835 Base-Backbone interact. energy: -1.661 local terms energy: -522.351170 where: bonds (distance) C4'-P energy: -96.232 bonds (distance) P-C4' energy: -92.180 flat angles C4'-P-C4' energy: -110.928 flat angles P-C4'-P energy: -68.300 tors. eta vs tors. theta energy: -154.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1542.318081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.318081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.318081 (E_RNA) where: Base-Base interactions energy: -1065.436 where: short stacking energy: -468.619 Base-Backbone interact. energy: 0.260 local terms energy: -477.142082 where: bonds (distance) C4'-P energy: -75.420 bonds (distance) P-C4' energy: -98.945 flat angles C4'-P-C4' energy: -93.750 flat angles P-C4'-P energy: -70.855 tors. eta vs tors. theta energy: -138.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1523.045286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.045286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.045286 (E_RNA) where: Base-Base interactions energy: -1046.479 where: short stacking energy: -465.085 Base-Backbone interact. energy: -1.928 local terms energy: -474.638568 where: bonds (distance) C4'-P energy: -86.696 bonds (distance) P-C4' energy: -88.000 flat angles C4'-P-C4' energy: -95.029 flat angles P-C4'-P energy: -64.996 tors. eta vs tors. theta energy: -139.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1417.381817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.381817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.381817 (E_RNA) where: Base-Base interactions energy: -958.273 where: short stacking energy: -437.183 Base-Backbone interact. energy: -1.739 local terms energy: -457.370536 where: bonds (distance) C4'-P energy: -96.461 bonds (distance) P-C4' energy: -81.341 flat angles C4'-P-C4' energy: -88.179 flat angles P-C4'-P energy: -59.494 tors. eta vs tors. theta energy: -131.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1306.449008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.449008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.449008 (E_RNA) where: Base-Base interactions energy: -874.773 where: short stacking energy: -383.511 Base-Backbone interact. energy: 0.116 local terms energy: -431.792280 where: bonds (distance) C4'-P energy: -81.035 bonds (distance) P-C4' energy: -76.710 flat angles C4'-P-C4' energy: -102.621 flat angles P-C4'-P energy: -58.923 tors. eta vs tors. theta energy: -112.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -975.630294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.630294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.630294 (E_RNA) where: Base-Base interactions energy: -626.877 where: short stacking energy: -293.166 Base-Backbone interact. energy: -0.440 local terms energy: -348.312740 where: bonds (distance) C4'-P energy: -71.765 bonds (distance) P-C4' energy: -78.565 flat angles C4'-P-C4' energy: -85.294 flat angles P-C4'-P energy: -54.360 tors. eta vs tors. theta energy: -58.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -729.358170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.358170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.358170 (E_RNA) where: Base-Base interactions energy: -439.277 where: short stacking energy: -215.086 Base-Backbone interact. energy: -2.524 local terms energy: -287.557244 where: bonds (distance) C4'-P energy: -64.727 bonds (distance) P-C4' energy: -78.597 flat angles C4'-P-C4' energy: -77.182 flat angles P-C4'-P energy: -46.739 tors. eta vs tors. theta energy: -20.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -516.622452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.622452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.622452 (E_RNA) where: Base-Base interactions energy: -266.442 where: short stacking energy: -161.968 Base-Backbone interact. energy: 2.651 local terms energy: -252.831371 where: bonds (distance) C4'-P energy: -55.607 bonds (distance) P-C4' energy: -79.772 flat angles C4'-P-C4' energy: -73.683 flat angles P-C4'-P energy: -51.740 tors. eta vs tors. theta energy: 7.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -455.469454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.469454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.469454 (E_RNA) where: Base-Base interactions energy: -196.336 where: short stacking energy: -115.240 Base-Backbone interact. energy: -1.092 local terms energy: -258.041921 where: bonds (distance) C4'-P energy: -55.965 bonds (distance) P-C4' energy: -86.750 flat angles C4'-P-C4' energy: -81.826 flat angles P-C4'-P energy: -33.758 tors. eta vs tors. theta energy: 0.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1705.529357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.529357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.529357 (E_RNA) where: Base-Base interactions energy: -1181.048 where: short stacking energy: -528.310 Base-Backbone interact. energy: -0.456 local terms energy: -524.025929 where: bonds (distance) C4'-P energy: -93.571 bonds (distance) P-C4' energy: -93.081 flat angles C4'-P-C4' energy: -105.492 flat angles P-C4'-P energy: -70.419 tors. eta vs tors. theta energy: -161.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1635.630492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.630492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.630492 (E_RNA) where: Base-Base interactions energy: -1120.030 where: short stacking energy: -493.298 Base-Backbone interact. energy: -0.902 local terms energy: -514.698732 where: bonds (distance) C4'-P energy: -93.228 bonds (distance) P-C4' energy: -90.494 flat angles C4'-P-C4' energy: -101.160 flat angles P-C4'-P energy: -75.121 tors. eta vs tors. theta energy: -154.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1575.049174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.049174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.049174 (E_RNA) where: Base-Base interactions energy: -1076.141 where: short stacking energy: -494.323 Base-Backbone interact. energy: -3.807 local terms energy: -495.101521 where: bonds (distance) C4'-P energy: -82.677 bonds (distance) P-C4' energy: -93.029 flat angles C4'-P-C4' energy: -108.245 flat angles P-C4'-P energy: -66.598 tors. eta vs tors. theta energy: -144.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1514.221853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.221853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.221853 (E_RNA) where: Base-Base interactions energy: -1037.894 where: short stacking energy: -466.950 Base-Backbone interact. energy: 0.059 local terms energy: -476.386827 where: bonds (distance) C4'-P energy: -91.616 bonds (distance) P-C4' energy: -73.570 flat angles C4'-P-C4' energy: -113.757 flat angles P-C4'-P energy: -60.153 tors. eta vs tors. theta energy: -137.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1431.229148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.229148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.229148 (E_RNA) where: Base-Base interactions energy: -966.529 where: short stacking energy: -424.733 Base-Backbone interact. energy: -1.460 local terms energy: -463.240184 where: bonds (distance) C4'-P energy: -91.656 bonds (distance) P-C4' energy: -90.292 flat angles C4'-P-C4' energy: -102.228 flat angles P-C4'-P energy: -58.034 tors. eta vs tors. theta energy: -121.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1309.014140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.014140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.014140 (E_RNA) where: Base-Base interactions energy: -884.123 where: short stacking energy: -385.154 Base-Backbone interact. energy: -2.963 local terms energy: -421.928153 where: bonds (distance) C4'-P energy: -71.763 bonds (distance) P-C4' energy: -87.096 flat angles C4'-P-C4' energy: -99.926 flat angles P-C4'-P energy: -55.053 tors. eta vs tors. theta energy: -108.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1013.224631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.224631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.224631 (E_RNA) where: Base-Base interactions energy: -632.041 where: short stacking energy: -295.847 Base-Backbone interact. energy: -3.058 local terms energy: -378.125431 where: bonds (distance) C4'-P energy: -70.246 bonds (distance) P-C4' energy: -79.012 flat angles C4'-P-C4' energy: -97.900 flat angles P-C4'-P energy: -51.685 tors. eta vs tors. theta energy: -79.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -721.414523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.414523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.414523 (E_RNA) where: Base-Base interactions energy: -430.490 where: short stacking energy: -219.120 Base-Backbone interact. energy: 7.376 local terms energy: -298.301286 where: bonds (distance) C4'-P energy: -71.191 bonds (distance) P-C4' energy: -61.823 flat angles C4'-P-C4' energy: -84.546 flat angles P-C4'-P energy: -50.391 tors. eta vs tors. theta energy: -30.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -529.765062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -529.765062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -529.765062 (E_RNA) where: Base-Base interactions energy: -254.399 where: short stacking energy: -146.765 Base-Backbone interact. energy: -2.744 local terms energy: -272.621427 where: bonds (distance) C4'-P energy: -95.014 bonds (distance) P-C4' energy: -92.412 flat angles C4'-P-C4' energy: -68.151 flat angles P-C4'-P energy: -32.234 tors. eta vs tors. theta energy: 15.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -435.546515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.546515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.546515 (E_RNA) where: Base-Base interactions energy: -208.502 where: short stacking energy: -131.787 Base-Backbone interact. energy: 1.534 local terms energy: -228.579076 where: bonds (distance) C4'-P energy: -76.350 bonds (distance) P-C4' energy: -65.665 flat angles C4'-P-C4' energy: -58.797 flat angles P-C4'-P energy: -43.486 tors. eta vs tors. theta energy: 15.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1711.024303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.024303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.024303 (E_RNA) where: Base-Base interactions energy: -1174.030 where: short stacking energy: -511.759 Base-Backbone interact. energy: -1.703 local terms energy: -535.291673 where: bonds (distance) C4'-P energy: -98.835 bonds (distance) P-C4' energy: -95.764 flat angles C4'-P-C4' energy: -109.626 flat angles P-C4'-P energy: -69.010 tors. eta vs tors. theta energy: -162.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1671.485982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.485982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.485982 (E_RNA) where: Base-Base interactions energy: -1147.241 where: short stacking energy: -504.151 Base-Backbone interact. energy: -0.786 local terms energy: -523.458645 where: bonds (distance) C4'-P energy: -87.112 bonds (distance) P-C4' energy: -96.259 flat angles C4'-P-C4' energy: -106.444 flat angles P-C4'-P energy: -74.405 tors. eta vs tors. theta energy: -159.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1570.265154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.265154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.265154 (E_RNA) where: Base-Base interactions energy: -1093.952 where: short stacking energy: -468.812 Base-Backbone interact. energy: -3.257 local terms energy: -473.056565 where: bonds (distance) C4'-P energy: -84.000 bonds (distance) P-C4' energy: -95.278 flat angles C4'-P-C4' energy: -99.156 flat angles P-C4'-P energy: -63.536 tors. eta vs tors. theta energy: -131.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1538.150037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.150037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.150037 (E_RNA) where: Base-Base interactions energy: -1047.144 where: short stacking energy: -469.136 Base-Backbone interact. energy: -3.566 local terms energy: -487.439855 where: bonds (distance) C4'-P energy: -90.581 bonds (distance) P-C4' energy: -89.189 flat angles C4'-P-C4' energy: -102.331 flat angles P-C4'-P energy: -73.411 tors. eta vs tors. theta energy: -131.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1473.201998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.201998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.201998 (E_RNA) where: Base-Base interactions energy: -983.401 where: short stacking energy: -457.430 Base-Backbone interact. energy: 0.346 local terms energy: -490.147214 where: bonds (distance) C4'-P energy: -86.709 bonds (distance) P-C4' energy: -95.811 flat angles C4'-P-C4' energy: -101.287 flat angles P-C4'-P energy: -65.970 tors. eta vs tors. theta energy: -140.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -1290.297508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.297508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.297508 (E_RNA) where: Base-Base interactions energy: -860.205 where: short stacking energy: -396.603 Base-Backbone interact. energy: -0.779 local terms energy: -429.314109 where: bonds (distance) C4'-P energy: -84.203 bonds (distance) P-C4' energy: -78.570 flat angles C4'-P-C4' energy: -98.146 flat angles P-C4'-P energy: -52.786 tors. eta vs tors. theta energy: -115.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -988.815054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.815054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.815054 (E_RNA) where: Base-Base interactions energy: -631.420 where: short stacking energy: -292.190 Base-Backbone interact. energy: -0.768 local terms energy: -356.626558 where: bonds (distance) C4'-P energy: -71.231 bonds (distance) P-C4' energy: -97.470 flat angles C4'-P-C4' energy: -65.785 flat angles P-C4'-P energy: -58.563 tors. eta vs tors. theta energy: -63.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -678.832649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.832649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.832649 (E_RNA) where: Base-Base interactions energy: -379.166 where: short stacking energy: -204.647 Base-Backbone interact. energy: -1.441 local terms energy: -298.225954 where: bonds (distance) C4'-P energy: -82.890 bonds (distance) P-C4' energy: -77.524 flat angles C4'-P-C4' energy: -64.125 flat angles P-C4'-P energy: -50.367 tors. eta vs tors. theta energy: -23.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -552.253720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.253720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.253720 (E_RNA) where: Base-Base interactions energy: -263.912 where: short stacking energy: -164.041 Base-Backbone interact. energy: 1.749 local terms energy: -290.089948 where: bonds (distance) C4'-P energy: -65.197 bonds (distance) P-C4' energy: -85.656 flat angles C4'-P-C4' energy: -82.087 flat angles P-C4'-P energy: -41.405 tors. eta vs tors. theta energy: -15.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -465.068827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.068827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.068827 (E_RNA) where: Base-Base interactions energy: -223.035 where: short stacking energy: -111.348 Base-Backbone interact. energy: 0.120 local terms energy: -242.153682 where: bonds (distance) C4'-P energy: -76.741 bonds (distance) P-C4' energy: -74.378 flat angles C4'-P-C4' energy: -45.437 flat angles P-C4'-P energy: -50.635 tors. eta vs tors. theta energy: 5.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1685.652843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.652843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.652843 (E_RNA) where: Base-Base interactions energy: -1152.366 where: short stacking energy: -510.110 Base-Backbone interact. energy: -1.734 local terms energy: -531.552169 where: bonds (distance) C4'-P energy: -91.296 bonds (distance) P-C4' energy: -91.021 flat angles C4'-P-C4' energy: -111.469 flat angles P-C4'-P energy: -74.794 tors. eta vs tors. theta energy: -162.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1642.960175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.960175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.960175 (E_RNA) where: Base-Base interactions energy: -1122.286 where: short stacking energy: -493.764 Base-Backbone interact. energy: 0.775 local terms energy: -521.449042 where: bonds (distance) C4'-P energy: -99.461 bonds (distance) P-C4' energy: -97.087 flat angles C4'-P-C4' energy: -104.310 flat angles P-C4'-P energy: -70.556 tors. eta vs tors. theta energy: -150.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1561.637672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.637672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.637672 (E_RNA) where: Base-Base interactions energy: -1082.843 where: short stacking energy: -477.587 Base-Backbone interact. energy: -6.600 local terms energy: -472.194323 where: bonds (distance) C4'-P energy: -83.964 bonds (distance) P-C4' energy: -81.578 flat angles C4'-P-C4' energy: -100.466 flat angles P-C4'-P energy: -72.142 tors. eta vs tors. theta energy: -134.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1506.528358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.528358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.528358 (E_RNA) where: Base-Base interactions energy: -1035.645 where: short stacking energy: -434.839 Base-Backbone interact. energy: -0.740 local terms energy: -470.143078 where: bonds (distance) C4'-P energy: -80.352 bonds (distance) P-C4' energy: -81.132 flat angles C4'-P-C4' energy: -104.855 flat angles P-C4'-P energy: -64.622 tors. eta vs tors. theta energy: -139.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1458.519846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.519846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.519846 (E_RNA) where: Base-Base interactions energy: -973.406 where: short stacking energy: -442.879 Base-Backbone interact. energy: 0.335 local terms energy: -485.448001 where: bonds (distance) C4'-P energy: -87.084 bonds (distance) P-C4' energy: -91.304 flat angles C4'-P-C4' energy: -100.481 flat angles P-C4'-P energy: -64.241 tors. eta vs tors. theta energy: -142.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1198.298265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.298265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.298265 (E_RNA) where: Base-Base interactions energy: -819.905 where: short stacking energy: -359.766 Base-Backbone interact. energy: 2.311 local terms energy: -380.704748 where: bonds (distance) C4'-P energy: -70.398 bonds (distance) P-C4' energy: -82.481 flat angles C4'-P-C4' energy: -85.665 flat angles P-C4'-P energy: -50.232 tors. eta vs tors. theta energy: -91.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -998.632710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.632710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.632710 (E_RNA) where: Base-Base interactions energy: -626.251 where: short stacking energy: -287.771 Base-Backbone interact. energy: -1.469 local terms energy: -370.913023 where: bonds (distance) C4'-P energy: -92.510 bonds (distance) P-C4' energy: -79.380 flat angles C4'-P-C4' energy: -83.405 flat angles P-C4'-P energy: -51.885 tors. eta vs tors. theta energy: -63.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -629.599999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.599999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.599999 (E_RNA) where: Base-Base interactions energy: -351.431 where: short stacking energy: -218.512 Base-Backbone interact. energy: -2.250 local terms energy: -275.918587 where: bonds (distance) C4'-P energy: -59.157 bonds (distance) P-C4' energy: -81.406 flat angles C4'-P-C4' energy: -70.666 flat angles P-C4'-P energy: -45.684 tors. eta vs tors. theta energy: -19.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -549.932285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.932285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.932285 (E_RNA) where: Base-Base interactions energy: -305.280 where: short stacking energy: -189.055 Base-Backbone interact. energy: 3.640 local terms energy: -248.292517 where: bonds (distance) C4'-P energy: -68.766 bonds (distance) P-C4' energy: -70.758 flat angles C4'-P-C4' energy: -64.124 flat angles P-C4'-P energy: -39.200 tors. eta vs tors. theta energy: -5.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -451.321672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.321672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.321672 (E_RNA) where: Base-Base interactions energy: -234.807 where: short stacking energy: -123.359 Base-Backbone interact. energy: 2.441 local terms energy: -218.955331 where: bonds (distance) C4'-P energy: -63.624 bonds (distance) P-C4' energy: -65.879 flat angles C4'-P-C4' energy: -60.732 flat angles P-C4'-P energy: -41.794 tors. eta vs tors. theta energy: 13.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1723.410751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.410751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.410751 (E_RNA) where: Base-Base interactions energy: -1182.905 where: short stacking energy: -522.978 Base-Backbone interact. energy: -1.148 local terms energy: -539.358411 where: bonds (distance) C4'-P energy: -99.944 bonds (distance) P-C4' energy: -90.344 flat angles C4'-P-C4' energy: -109.103 flat angles P-C4'-P energy: -78.960 tors. eta vs tors. theta energy: -161.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1650.294104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.294104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.294104 (E_RNA) where: Base-Base interactions energy: -1133.851 where: short stacking energy: -491.511 Base-Backbone interact. energy: -0.582 local terms energy: -515.861536 where: bonds (distance) C4'-P energy: -89.151 bonds (distance) P-C4' energy: -97.524 flat angles C4'-P-C4' energy: -104.976 flat angles P-C4'-P energy: -70.440 tors. eta vs tors. theta energy: -153.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1585.254761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.254761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.254761 (E_RNA) where: Base-Base interactions energy: -1083.124 where: short stacking energy: -462.867 Base-Backbone interact. energy: -1.205 local terms energy: -500.925964 where: bonds (distance) C4'-P energy: -87.758 bonds (distance) P-C4' energy: -104.231 flat angles C4'-P-C4' energy: -99.450 flat angles P-C4'-P energy: -74.708 tors. eta vs tors. theta energy: -134.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1498.921310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.921310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.921310 (E_RNA) where: Base-Base interactions energy: -1032.744 where: short stacking energy: -441.435 Base-Backbone interact. energy: -1.075 local terms energy: -465.102872 where: bonds (distance) C4'-P energy: -80.832 bonds (distance) P-C4' energy: -92.744 flat angles C4'-P-C4' energy: -99.004 flat angles P-C4'-P energy: -63.370 tors. eta vs tors. theta energy: -129.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1471.423994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.423994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.423994 (E_RNA) where: Base-Base interactions energy: -1017.922 where: short stacking energy: -446.656 Base-Backbone interact. energy: -0.608 local terms energy: -452.894452 where: bonds (distance) C4'-P energy: -72.654 bonds (distance) P-C4' energy: -76.517 flat angles C4'-P-C4' energy: -92.999 flat angles P-C4'-P energy: -65.558 tors. eta vs tors. theta energy: -145.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1197.011868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.011868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.011868 (E_RNA) where: Base-Base interactions energy: -799.497 where: short stacking energy: -338.961 Base-Backbone interact. energy: -0.403 local terms energy: -397.111907 where: bonds (distance) C4'-P energy: -83.485 bonds (distance) P-C4' energy: -85.120 flat angles C4'-P-C4' energy: -83.468 flat angles P-C4'-P energy: -62.651 tors. eta vs tors. theta energy: -82.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1027.184166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.184166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.184166 (E_RNA) where: Base-Base interactions energy: -628.739 where: short stacking energy: -290.946 Base-Backbone interact. energy: -1.988 local terms energy: -396.457392 where: bonds (distance) C4'-P energy: -89.866 bonds (distance) P-C4' energy: -93.278 flat angles C4'-P-C4' energy: -95.256 flat angles P-C4'-P energy: -52.089 tors. eta vs tors. theta energy: -65.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -601.396487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.396487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.396487 (E_RNA) where: Base-Base interactions energy: -310.339 where: short stacking energy: -199.386 Base-Backbone interact. energy: 1.843 local terms energy: -292.900079 where: bonds (distance) C4'-P energy: -70.088 bonds (distance) P-C4' energy: -81.177 flat angles C4'-P-C4' energy: -65.744 flat angles P-C4'-P energy: -53.120 tors. eta vs tors. theta energy: -22.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -571.064926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.064926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.064926 (E_RNA) where: Base-Base interactions energy: -301.722 where: short stacking energy: -179.373 Base-Backbone interact. energy: 2.222 local terms energy: -271.564957 where: bonds (distance) C4'-P energy: -75.206 bonds (distance) P-C4' energy: -77.637 flat angles C4'-P-C4' energy: -61.843 flat angles P-C4'-P energy: -42.653 tors. eta vs tors. theta energy: -14.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -466.613100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.613100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.613100 (E_RNA) where: Base-Base interactions energy: -231.869 where: short stacking energy: -152.049 Base-Backbone interact. energy: -0.480 local terms energy: -234.263774 where: bonds (distance) C4'-P energy: -65.638 bonds (distance) P-C4' energy: -57.350 flat angles C4'-P-C4' energy: -67.047 flat angles P-C4'-P energy: -41.835 tors. eta vs tors. theta energy: -2.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1710.645058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.645058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.645058 (E_RNA) where: Base-Base interactions energy: -1191.608 where: short stacking energy: -534.682 Base-Backbone interact. energy: -1.096 local terms energy: -517.940520 where: bonds (distance) C4'-P energy: -86.230 bonds (distance) P-C4' energy: -94.579 flat angles C4'-P-C4' energy: -107.763 flat angles P-C4'-P energy: -70.242 tors. eta vs tors. theta energy: -159.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1637.253178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.253178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.253178 (E_RNA) where: Base-Base interactions energy: -1133.009 where: short stacking energy: -487.359 Base-Backbone interact. energy: 2.263 local terms energy: -506.507585 where: bonds (distance) C4'-P energy: -82.779 bonds (distance) P-C4' energy: -96.721 flat angles C4'-P-C4' energy: -111.543 flat angles P-C4'-P energy: -71.676 tors. eta vs tors. theta energy: -143.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1569.748685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.748685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.748685 (E_RNA) where: Base-Base interactions energy: -1072.588 where: short stacking energy: -464.334 Base-Backbone interact. energy: -3.915 local terms energy: -493.245600 where: bonds (distance) C4'-P energy: -88.193 bonds (distance) P-C4' energy: -91.518 flat angles C4'-P-C4' energy: -104.577 flat angles P-C4'-P energy: -69.112 tors. eta vs tors. theta energy: -139.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1533.333533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.333533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.333533 (E_RNA) where: Base-Base interactions energy: -1037.396 where: short stacking energy: -443.421 Base-Backbone interact. energy: -0.201 local terms energy: -495.737035 where: bonds (distance) C4'-P energy: -90.620 bonds (distance) P-C4' energy: -96.198 flat angles C4'-P-C4' energy: -104.929 flat angles P-C4'-P energy: -67.510 tors. eta vs tors. theta energy: -136.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1478.836443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.836443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.836443 (E_RNA) where: Base-Base interactions energy: -999.296 where: short stacking energy: -451.288 Base-Backbone interact. energy: 3.722 local terms energy: -483.262878 where: bonds (distance) C4'-P energy: -85.080 bonds (distance) P-C4' energy: -92.100 flat angles C4'-P-C4' energy: -104.908 flat angles P-C4'-P energy: -59.436 tors. eta vs tors. theta energy: -141.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1264.582266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.582266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.582266 (E_RNA) where: Base-Base interactions energy: -829.092 where: short stacking energy: -380.212 Base-Backbone interact. energy: -1.880 local terms energy: -433.611000 where: bonds (distance) C4'-P energy: -89.778 bonds (distance) P-C4' energy: -76.807 flat angles C4'-P-C4' energy: -105.189 flat angles P-C4'-P energy: -56.406 tors. eta vs tors. theta energy: -105.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1035.528461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.528461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.528461 (E_RNA) where: Base-Base interactions energy: -673.824 where: short stacking energy: -303.480 Base-Backbone interact. energy: -2.487 local terms energy: -359.217076 where: bonds (distance) C4'-P energy: -88.956 bonds (distance) P-C4' energy: -80.625 flat angles C4'-P-C4' energy: -72.969 flat angles P-C4'-P energy: -45.905 tors. eta vs tors. theta energy: -70.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -631.917443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.917443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.917443 (E_RNA) where: Base-Base interactions energy: -327.469 where: short stacking energy: -181.471 Base-Backbone interact. energy: 1.532 local terms energy: -305.980521 where: bonds (distance) C4'-P energy: -75.339 bonds (distance) P-C4' energy: -82.428 flat angles C4'-P-C4' energy: -70.430 flat angles P-C4'-P energy: -55.229 tors. eta vs tors. theta energy: -22.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -669.821158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.821158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.821158 (E_RNA) where: Base-Base interactions energy: -367.250 where: short stacking energy: -177.544 Base-Backbone interact. energy: -2.420 local terms energy: -300.151428 where: bonds (distance) C4'-P energy: -91.239 bonds (distance) P-C4' energy: -75.259 flat angles C4'-P-C4' energy: -60.630 flat angles P-C4'-P energy: -57.247 tors. eta vs tors. theta energy: -15.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -461.716406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.716406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.716406 (E_RNA) where: Base-Base interactions energy: -213.671 where: short stacking energy: -135.721 Base-Backbone interact. energy: 2.253 local terms energy: -250.298097 where: bonds (distance) C4'-P energy: -66.702 bonds (distance) P-C4' energy: -78.928 flat angles C4'-P-C4' energy: -59.114 flat angles P-C4'-P energy: -41.227 tors. eta vs tors. theta energy: -4.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1701.041395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.041395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.041395 (E_RNA) where: Base-Base interactions energy: -1182.348 where: short stacking energy: -518.378 Base-Backbone interact. energy: -0.654 local terms energy: -518.039143 where: bonds (distance) C4'-P energy: -83.907 bonds (distance) P-C4' energy: -91.525 flat angles C4'-P-C4' energy: -103.765 flat angles P-C4'-P energy: -79.499 tors. eta vs tors. theta energy: -159.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1638.763067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.763067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.763067 (E_RNA) where: Base-Base interactions energy: -1144.349 where: short stacking energy: -489.218 Base-Backbone interact. energy: -1.566 local terms energy: -492.847416 where: bonds (distance) C4'-P energy: -96.947 bonds (distance) P-C4' energy: -71.264 flat angles C4'-P-C4' energy: -109.449 flat angles P-C4'-P energy: -64.665 tors. eta vs tors. theta energy: -150.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1576.115493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.115493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.115493 (E_RNA) where: Base-Base interactions energy: -1076.577 where: short stacking energy: -477.556 Base-Backbone interact. energy: -2.326 local terms energy: -497.212496 where: bonds (distance) C4'-P energy: -94.781 bonds (distance) P-C4' energy: -92.856 flat angles C4'-P-C4' energy: -101.081 flat angles P-C4'-P energy: -66.510 tors. eta vs tors. theta energy: -141.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1479.159717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.159717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.159717 (E_RNA) where: Base-Base interactions energy: -981.768 where: short stacking energy: -441.459 Base-Backbone interact. energy: -3.915 local terms energy: -493.476785 where: bonds (distance) C4'-P energy: -84.775 bonds (distance) P-C4' energy: -99.213 flat angles C4'-P-C4' energy: -101.949 flat angles P-C4'-P energy: -70.820 tors. eta vs tors. theta energy: -136.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1498.856896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.856896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.856896 (E_RNA) where: Base-Base interactions energy: -1014.356 where: short stacking energy: -456.926 Base-Backbone interact. energy: -1.231 local terms energy: -483.269382 where: bonds (distance) C4'-P energy: -85.759 bonds (distance) P-C4' energy: -80.928 flat angles C4'-P-C4' energy: -102.254 flat angles P-C4'-P energy: -65.882 tors. eta vs tors. theta energy: -148.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1282.964723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.964723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.964723 (E_RNA) where: Base-Base interactions energy: -827.576 where: short stacking energy: -362.737 Base-Backbone interact. energy: 1.556 local terms energy: -456.943808 where: bonds (distance) C4'-P energy: -83.370 bonds (distance) P-C4' energy: -94.859 flat angles C4'-P-C4' energy: -98.920 flat angles P-C4'-P energy: -68.904 tors. eta vs tors. theta energy: -110.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1075.862274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.862274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.862274 (E_RNA) where: Base-Base interactions energy: -698.001 where: short stacking energy: -321.047 Base-Backbone interact. energy: 1.806 local terms energy: -379.667450 where: bonds (distance) C4'-P energy: -74.573 bonds (distance) P-C4' energy: -89.020 flat angles C4'-P-C4' energy: -82.718 flat angles P-C4'-P energy: -57.272 tors. eta vs tors. theta energy: -76.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -602.568499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.568499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.568499 (E_RNA) where: Base-Base interactions energy: -276.978 where: short stacking energy: -170.908 Base-Backbone interact. energy: 0.309 local terms energy: -325.899629 where: bonds (distance) C4'-P energy: -73.128 bonds (distance) P-C4' energy: -75.762 flat angles C4'-P-C4' energy: -87.320 flat angles P-C4'-P energy: -65.161 tors. eta vs tors. theta energy: -24.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -675.849128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.849128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.849128 (E_RNA) where: Base-Base interactions energy: -370.976 where: short stacking energy: -211.817 Base-Backbone interact. energy: -2.361 local terms energy: -302.512011 where: bonds (distance) C4'-P energy: -76.001 bonds (distance) P-C4' energy: -77.754 flat angles C4'-P-C4' energy: -79.600 flat angles P-C4'-P energy: -47.348 tors. eta vs tors. theta energy: -21.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -423.498579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.498579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.498579 (E_RNA) where: Base-Base interactions energy: -171.270 where: short stacking energy: -128.730 Base-Backbone interact. energy: 7.006 local terms energy: -259.234800 where: bonds (distance) C4'-P energy: -84.898 bonds (distance) P-C4' energy: -85.096 flat angles C4'-P-C4' energy: -70.737 flat angles P-C4'-P energy: -33.355 tors. eta vs tors. theta energy: 14.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1690.518034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.518034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.518034 (E_RNA) where: Base-Base interactions energy: -1159.308 where: short stacking energy: -499.670 Base-Backbone interact. energy: -1.489 local terms energy: -529.721293 where: bonds (distance) C4'-P energy: -98.559 bonds (distance) P-C4' energy: -96.791 flat angles C4'-P-C4' energy: -105.234 flat angles P-C4'-P energy: -69.387 tors. eta vs tors. theta energy: -159.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1643.365664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.365664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.365664 (E_RNA) where: Base-Base interactions energy: -1127.019 where: short stacking energy: -494.405 Base-Backbone interact. energy: -3.160 local terms energy: -513.186300 where: bonds (distance) C4'-P energy: -100.386 bonds (distance) P-C4' energy: -77.895 flat angles C4'-P-C4' energy: -108.652 flat angles P-C4'-P energy: -74.956 tors. eta vs tors. theta energy: -151.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1548.886648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.886648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.886648 (E_RNA) where: Base-Base interactions energy: -1056.433 where: short stacking energy: -458.651 Base-Backbone interact. energy: -1.078 local terms energy: -491.376061 where: bonds (distance) C4'-P energy: -80.032 bonds (distance) P-C4' energy: -97.548 flat angles C4'-P-C4' energy: -108.967 flat angles P-C4'-P energy: -64.417 tors. eta vs tors. theta energy: -140.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1528.576998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.576998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.576998 (E_RNA) where: Base-Base interactions energy: -1019.669 where: short stacking energy: -452.821 Base-Backbone interact. energy: -2.115 local terms energy: -506.793017 where: bonds (distance) C4'-P energy: -86.147 bonds (distance) P-C4' energy: -91.423 flat angles C4'-P-C4' energy: -109.983 flat angles P-C4'-P energy: -80.596 tors. eta vs tors. theta energy: -138.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1469.223963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.223963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.223963 (E_RNA) where: Base-Base interactions energy: -1014.418 where: short stacking energy: -443.106 Base-Backbone interact. energy: -2.016 local terms energy: -452.789782 where: bonds (distance) C4'-P energy: -85.251 bonds (distance) P-C4' energy: -75.174 flat angles C4'-P-C4' energy: -109.291 flat angles P-C4'-P energy: -62.338 tors. eta vs tors. theta energy: -120.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1284.057852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.057852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.057852 (E_RNA) where: Base-Base interactions energy: -859.080 where: short stacking energy: -398.902 Base-Backbone interact. energy: -1.048 local terms energy: -423.929677 where: bonds (distance) C4'-P energy: -80.141 bonds (distance) P-C4' energy: -77.781 flat angles C4'-P-C4' energy: -91.981 flat angles P-C4'-P energy: -57.687 tors. eta vs tors. theta energy: -116.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1081.776185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.776185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.776185 (E_RNA) where: Base-Base interactions energy: -711.729 where: short stacking energy: -331.600 Base-Backbone interact. energy: -1.074 local terms energy: -368.973704 where: bonds (distance) C4'-P energy: -62.381 bonds (distance) P-C4' energy: -85.144 flat angles C4'-P-C4' energy: -84.413 flat angles P-C4'-P energy: -56.802 tors. eta vs tors. theta energy: -80.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -656.817608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.817608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.817608 (E_RNA) where: Base-Base interactions energy: -351.451 where: short stacking energy: -196.183 Base-Backbone interact. energy: 1.422 local terms energy: -306.788199 where: bonds (distance) C4'-P energy: -70.220 bonds (distance) P-C4' energy: -64.496 flat angles C4'-P-C4' energy: -94.842 flat angles P-C4'-P energy: -52.753 tors. eta vs tors. theta energy: -24.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -561.417970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.417970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.417970 (E_RNA) where: Base-Base interactions energy: -316.104 where: short stacking energy: -172.933 Base-Backbone interact. energy: -1.838 local terms energy: -243.476167 where: bonds (distance) C4'-P energy: -62.189 bonds (distance) P-C4' energy: -75.801 flat angles C4'-P-C4' energy: -45.506 flat angles P-C4'-P energy: -43.547 tors. eta vs tors. theta energy: -16.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -383.634297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.634297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.634297 (E_RNA) where: Base-Base interactions energy: -145.377 where: short stacking energy: -106.938 Base-Backbone interact. energy: -0.252 local terms energy: -238.005317 where: bonds (distance) C4'-P energy: -78.909 bonds (distance) P-C4' energy: -81.178 flat angles C4'-P-C4' energy: -64.067 flat angles P-C4'-P energy: -29.944 tors. eta vs tors. theta energy: 16.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1709.446040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.446040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.446040 (E_RNA) where: Base-Base interactions energy: -1168.716 where: short stacking energy: -516.402 Base-Backbone interact. energy: -0.356 local terms energy: -540.374037 where: bonds (distance) C4'-P energy: -95.969 bonds (distance) P-C4' energy: -102.692 flat angles C4'-P-C4' energy: -111.041 flat angles P-C4'-P energy: -68.523 tors. eta vs tors. theta energy: -162.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1633.624167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.624167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.624167 (E_RNA) where: Base-Base interactions energy: -1122.603 where: short stacking energy: -490.658 Base-Backbone interact. energy: 0.224 local terms energy: -511.245088 where: bonds (distance) C4'-P energy: -86.646 bonds (distance) P-C4' energy: -96.272 flat angles C4'-P-C4' energy: -106.049 flat angles P-C4'-P energy: -77.581 tors. eta vs tors. theta energy: -144.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1564.302654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.302654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.302654 (E_RNA) where: Base-Base interactions energy: -1074.042 where: short stacking energy: -465.763 Base-Backbone interact. energy: -4.367 local terms energy: -485.893777 where: bonds (distance) C4'-P energy: -88.234 bonds (distance) P-C4' energy: -87.643 flat angles C4'-P-C4' energy: -101.901 flat angles P-C4'-P energy: -71.503 tors. eta vs tors. theta energy: -136.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1514.941941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.941941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.941941 (E_RNA) where: Base-Base interactions energy: -1025.455 where: short stacking energy: -468.672 Base-Backbone interact. energy: -2.151 local terms energy: -487.336189 where: bonds (distance) C4'-P energy: -88.367 bonds (distance) P-C4' energy: -81.280 flat angles C4'-P-C4' energy: -109.368 flat angles P-C4'-P energy: -64.320 tors. eta vs tors. theta energy: -144.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1473.129575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.129575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.129575 (E_RNA) where: Base-Base interactions energy: -1003.091 where: short stacking energy: -446.184 Base-Backbone interact. energy: 0.481 local terms energy: -470.519831 where: bonds (distance) C4'-P energy: -78.536 bonds (distance) P-C4' energy: -89.621 flat angles C4'-P-C4' energy: -102.711 flat angles P-C4'-P energy: -68.207 tors. eta vs tors. theta energy: -131.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1263.620385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.620385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.620385 (E_RNA) where: Base-Base interactions energy: -828.373 where: short stacking energy: -383.668 Base-Backbone interact. energy: -0.865 local terms energy: -434.381673 where: bonds (distance) C4'-P energy: -73.512 bonds (distance) P-C4' energy: -92.679 flat angles C4'-P-C4' energy: -101.256 flat angles P-C4'-P energy: -58.305 tors. eta vs tors. theta energy: -108.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1035.367244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.367244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.367244 (E_RNA) where: Base-Base interactions energy: -664.208 where: short stacking energy: -323.084 Base-Backbone interact. energy: -1.228 local terms energy: -369.931766 where: bonds (distance) C4'-P energy: -64.864 bonds (distance) P-C4' energy: -81.906 flat angles C4'-P-C4' energy: -93.130 flat angles P-C4'-P energy: -61.177 tors. eta vs tors. theta energy: -68.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -668.903949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.903949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.903949 (E_RNA) where: Base-Base interactions energy: -352.502 where: short stacking energy: -208.917 Base-Backbone interact. energy: -1.895 local terms energy: -314.506465 where: bonds (distance) C4'-P energy: -69.399 bonds (distance) P-C4' energy: -80.650 flat angles C4'-P-C4' energy: -76.966 flat angles P-C4'-P energy: -53.040 tors. eta vs tors. theta energy: -34.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -612.701197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.701197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.701197 (E_RNA) where: Base-Base interactions energy: -312.658 where: short stacking energy: -174.906 Base-Backbone interact. energy: 0.346 local terms energy: -300.388904 where: bonds (distance) C4'-P energy: -72.758 bonds (distance) P-C4' energy: -88.295 flat angles C4'-P-C4' energy: -78.216 flat angles P-C4'-P energy: -38.912 tors. eta vs tors. theta energy: -22.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -459.232436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.232436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.232436 (E_RNA) where: Base-Base interactions energy: -216.401 where: short stacking energy: -148.401 Base-Backbone interact. energy: 0.503 local terms energy: -243.335160 where: bonds (distance) C4'-P energy: -63.167 bonds (distance) P-C4' energy: -81.988 flat angles C4'-P-C4' energy: -61.195 flat angles P-C4'-P energy: -33.839 tors. eta vs tors. theta energy: -3.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1709.825219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.825219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.825219 (E_RNA) where: Base-Base interactions energy: -1171.760 where: short stacking energy: -493.229 Base-Backbone interact. energy: -1.851 local terms energy: -536.213837 where: bonds (distance) C4'-P energy: -103.988 bonds (distance) P-C4' energy: -100.833 flat angles C4'-P-C4' energy: -106.275 flat angles P-C4'-P energy: -68.409 tors. eta vs tors. theta energy: -156.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1611.802325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.802325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.802325 (E_RNA) where: Base-Base interactions energy: -1108.217 where: short stacking energy: -477.581 Base-Backbone interact. energy: 0.419 local terms energy: -504.004332 where: bonds (distance) C4'-P energy: -88.196 bonds (distance) P-C4' energy: -94.961 flat angles C4'-P-C4' energy: -105.414 flat angles P-C4'-P energy: -64.075 tors. eta vs tors. theta energy: -151.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1553.509515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.509515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.509515 (E_RNA) where: Base-Base interactions energy: -1079.680 where: short stacking energy: -481.188 Base-Backbone interact. energy: -2.425 local terms energy: -471.404603 where: bonds (distance) C4'-P energy: -95.518 bonds (distance) P-C4' energy: -78.382 flat angles C4'-P-C4' energy: -100.593 flat angles P-C4'-P energy: -64.914 tors. eta vs tors. theta energy: -131.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1535.332426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.332426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.332426 (E_RNA) where: Base-Base interactions energy: -1043.847 where: short stacking energy: -489.401 Base-Backbone interact. energy: 0.364 local terms energy: -491.849587 where: bonds (distance) C4'-P energy: -90.440 bonds (distance) P-C4' energy: -81.956 flat angles C4'-P-C4' energy: -103.696 flat angles P-C4'-P energy: -68.704 tors. eta vs tors. theta energy: -147.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1503.823866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.823866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.823866 (E_RNA) where: Base-Base interactions energy: -1036.330 where: short stacking energy: -463.290 Base-Backbone interact. energy: -4.257 local terms energy: -463.236622 where: bonds (distance) C4'-P energy: -77.529 bonds (distance) P-C4' energy: -80.747 flat angles C4'-P-C4' energy: -102.013 flat angles P-C4'-P energy: -70.404 tors. eta vs tors. theta energy: -132.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1228.819719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.819719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.819719 (E_RNA) where: Base-Base interactions energy: -815.696 where: short stacking energy: -373.188 Base-Backbone interact. energy: -1.237 local terms energy: -411.886934 where: bonds (distance) C4'-P energy: -72.714 bonds (distance) P-C4' energy: -57.555 flat angles C4'-P-C4' energy: -106.802 flat angles P-C4'-P energy: -65.459 tors. eta vs tors. theta energy: -109.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1018.110459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.110459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.110459 (E_RNA) where: Base-Base interactions energy: -654.774 where: short stacking energy: -295.048 Base-Backbone interact. energy: -1.709 local terms energy: -361.627575 where: bonds (distance) C4'-P energy: -91.198 bonds (distance) P-C4' energy: -88.663 flat angles C4'-P-C4' energy: -76.700 flat angles P-C4'-P energy: -46.817 tors. eta vs tors. theta energy: -58.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -687.887113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.887113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.887113 (E_RNA) where: Base-Base interactions energy: -347.293 where: short stacking energy: -217.941 Base-Backbone interact. energy: -0.460 local terms energy: -340.133447 where: bonds (distance) C4'-P energy: -75.913 bonds (distance) P-C4' energy: -79.740 flat angles C4'-P-C4' energy: -81.284 flat angles P-C4'-P energy: -59.398 tors. eta vs tors. theta energy: -43.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -606.881313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.881313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.881313 (E_RNA) where: Base-Base interactions energy: -309.650 where: short stacking energy: -153.678 Base-Backbone interact. energy: 2.173 local terms energy: -299.403743 where: bonds (distance) C4'-P energy: -82.641 bonds (distance) P-C4' energy: -74.514 flat angles C4'-P-C4' energy: -80.243 flat angles P-C4'-P energy: -47.601 tors. eta vs tors. theta energy: -14.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -471.969127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.969127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.969127 (E_RNA) where: Base-Base interactions energy: -193.212 where: short stacking energy: -135.035 Base-Backbone interact. energy: -0.235 local terms energy: -278.522256 where: bonds (distance) C4'-P energy: -83.028 bonds (distance) P-C4' energy: -68.178 flat angles C4'-P-C4' energy: -63.159 flat angles P-C4'-P energy: -60.552 tors. eta vs tors. theta energy: -3.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1713.872580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.872580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.872580 (E_RNA) where: Base-Base interactions energy: -1188.211 where: short stacking energy: -499.650 Base-Backbone interact. energy: -1.624 local terms energy: -524.037103 where: bonds (distance) C4'-P energy: -83.251 bonds (distance) P-C4' energy: -94.956 flat angles C4'-P-C4' energy: -107.551 flat angles P-C4'-P energy: -75.938 tors. eta vs tors. theta energy: -162.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1598.919758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.919758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.919758 (E_RNA) where: Base-Base interactions energy: -1092.616 where: short stacking energy: -474.733 Base-Backbone interact. energy: 0.636 local terms energy: -506.940204 where: bonds (distance) C4'-P energy: -89.240 bonds (distance) P-C4' energy: -79.796 flat angles C4'-P-C4' energy: -108.058 flat angles P-C4'-P energy: -82.363 tors. eta vs tors. theta energy: -147.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1556.472480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.472480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.472480 (E_RNA) where: Base-Base interactions energy: -1067.170 where: short stacking energy: -465.371 Base-Backbone interact. energy: -2.035 local terms energy: -487.266726 where: bonds (distance) C4'-P energy: -81.755 bonds (distance) P-C4' energy: -93.770 flat angles C4'-P-C4' energy: -100.884 flat angles P-C4'-P energy: -70.309 tors. eta vs tors. theta energy: -140.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1510.074530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.074530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.074530 (E_RNA) where: Base-Base interactions energy: -1018.743 where: short stacking energy: -468.124 Base-Backbone interact. energy: -0.446 local terms energy: -490.884904 where: bonds (distance) C4'-P energy: -81.761 bonds (distance) P-C4' energy: -86.942 flat angles C4'-P-C4' energy: -111.949 flat angles P-C4'-P energy: -73.075 tors. eta vs tors. theta energy: -137.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1471.951291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.951291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.951291 (E_RNA) where: Base-Base interactions energy: -1006.537 where: short stacking energy: -436.453 Base-Backbone interact. energy: -4.038 local terms energy: -461.376489 where: bonds (distance) C4'-P energy: -85.409 bonds (distance) P-C4' energy: -73.745 flat angles C4'-P-C4' energy: -96.742 flat angles P-C4'-P energy: -71.588 tors. eta vs tors. theta energy: -133.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1252.647275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.647275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.647275 (E_RNA) where: Base-Base interactions energy: -815.578 where: short stacking energy: -371.276 Base-Backbone interact. energy: -1.034 local terms energy: -436.035784 where: bonds (distance) C4'-P energy: -87.386 bonds (distance) P-C4' energy: -87.519 flat angles C4'-P-C4' energy: -88.693 flat angles P-C4'-P energy: -65.350 tors. eta vs tors. theta energy: -107.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -976.675267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.675267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.675267 (E_RNA) where: Base-Base interactions energy: -592.536 where: short stacking energy: -280.125 Base-Backbone interact. energy: -0.887 local terms energy: -383.251505 where: bonds (distance) C4'-P energy: -93.185 bonds (distance) P-C4' energy: -77.235 flat angles C4'-P-C4' energy: -87.939 flat angles P-C4'-P energy: -59.087 tors. eta vs tors. theta energy: -65.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -629.690045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.690045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.690045 (E_RNA) where: Base-Base interactions energy: -333.892 where: short stacking energy: -182.372 Base-Backbone interact. energy: -2.402 local terms energy: -293.395339 where: bonds (distance) C4'-P energy: -71.066 bonds (distance) P-C4' energy: -75.043 flat angles C4'-P-C4' energy: -75.434 flat angles P-C4'-P energy: -58.479 tors. eta vs tors. theta energy: -13.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -566.927880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.927880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.927880 (E_RNA) where: Base-Base interactions energy: -302.685 where: short stacking energy: -184.391 Base-Backbone interact. energy: -0.445 local terms energy: -263.797828 where: bonds (distance) C4'-P energy: -66.865 bonds (distance) P-C4' energy: -75.456 flat angles C4'-P-C4' energy: -89.457 flat angles P-C4'-P energy: -21.535 tors. eta vs tors. theta energy: -10.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -453.172385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.172385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.172385 (E_RNA) where: Base-Base interactions energy: -212.455 where: short stacking energy: -136.838 Base-Backbone interact. energy: -0.607 local terms energy: -240.109943 where: bonds (distance) C4'-P energy: -70.497 bonds (distance) P-C4' energy: -77.822 flat angles C4'-P-C4' energy: -74.584 flat angles P-C4'-P energy: -26.043 tors. eta vs tors. theta energy: 8.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1703.418432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.418432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.418432 (E_RNA) where: Base-Base interactions energy: -1155.508 where: short stacking energy: -496.266 Base-Backbone interact. energy: -2.635 local terms energy: -545.275880 where: bonds (distance) C4'-P energy: -98.920 bonds (distance) P-C4' energy: -99.600 flat angles C4'-P-C4' energy: -106.498 flat angles P-C4'-P energy: -83.993 tors. eta vs tors. theta energy: -156.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1649.232452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.232452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.232452 (E_RNA) where: Base-Base interactions energy: -1127.860 where: short stacking energy: -484.385 Base-Backbone interact. energy: -2.588 local terms energy: -518.784116 where: bonds (distance) C4'-P energy: -90.167 bonds (distance) P-C4' energy: -97.379 flat angles C4'-P-C4' energy: -103.136 flat angles P-C4'-P energy: -75.361 tors. eta vs tors. theta energy: -152.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1558.964800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.964800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.964800 (E_RNA) where: Base-Base interactions energy: -1076.999 where: short stacking energy: -482.099 Base-Backbone interact. energy: -4.665 local terms energy: -477.300384 where: bonds (distance) C4'-P energy: -91.780 bonds (distance) P-C4' energy: -77.046 flat angles C4'-P-C4' energy: -104.567 flat angles P-C4'-P energy: -65.882 tors. eta vs tors. theta energy: -138.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1503.067865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.067865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.067865 (E_RNA) where: Base-Base interactions energy: -1012.407 where: short stacking energy: -481.225 Base-Backbone interact. energy: 0.650 local terms energy: -491.310678 where: bonds (distance) C4'-P energy: -73.651 bonds (distance) P-C4' energy: -82.707 flat angles C4'-P-C4' energy: -107.474 flat angles P-C4'-P energy: -74.790 tors. eta vs tors. theta energy: -152.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1475.376523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.376523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.376523 (E_RNA) where: Base-Base interactions energy: -1014.180 where: short stacking energy: -457.907 Base-Backbone interact. energy: -0.436 local terms energy: -460.760650 where: bonds (distance) C4'-P energy: -89.741 bonds (distance) P-C4' energy: -86.776 flat angles C4'-P-C4' energy: -97.441 flat angles P-C4'-P energy: -55.216 tors. eta vs tors. theta energy: -131.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1216.133398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.133398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.133398 (E_RNA) where: Base-Base interactions energy: -788.344 where: short stacking energy: -353.569 Base-Backbone interact. energy: -2.687 local terms energy: -425.102172 where: bonds (distance) C4'-P energy: -87.342 bonds (distance) P-C4' energy: -81.954 flat angles C4'-P-C4' energy: -86.384 flat angles P-C4'-P energy: -61.860 tors. eta vs tors. theta energy: -107.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -959.926431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.926431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.926431 (E_RNA) where: Base-Base interactions energy: -591.705 where: short stacking energy: -269.880 Base-Backbone interact. energy: -1.994 local terms energy: -366.227923 where: bonds (distance) C4'-P energy: -71.180 bonds (distance) P-C4' energy: -97.340 flat angles C4'-P-C4' energy: -90.333 flat angles P-C4'-P energy: -61.432 tors. eta vs tors. theta energy: -45.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -656.213248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.213248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.213248 (E_RNA) where: Base-Base interactions energy: -352.616 where: short stacking energy: -185.307 Base-Backbone interact. energy: 0.117 local terms energy: -303.714993 where: bonds (distance) C4'-P energy: -89.187 bonds (distance) P-C4' energy: -76.304 flat angles C4'-P-C4' energy: -68.224 flat angles P-C4'-P energy: -35.693 tors. eta vs tors. theta energy: -34.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -611.438494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.438494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.438494 (E_RNA) where: Base-Base interactions energy: -307.727 where: short stacking energy: -190.004 Base-Backbone interact. energy: 0.282 local terms energy: -303.992989 where: bonds (distance) C4'-P energy: -83.720 bonds (distance) P-C4' energy: -81.677 flat angles C4'-P-C4' energy: -75.621 flat angles P-C4'-P energy: -30.102 tors. eta vs tors. theta energy: -32.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -466.016416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.016416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.016416 (E_RNA) where: Base-Base interactions energy: -213.141 where: short stacking energy: -140.991 Base-Backbone interact. energy: 0.219 local terms energy: -253.094615 where: bonds (distance) C4'-P energy: -89.775 bonds (distance) P-C4' energy: -77.477 flat angles C4'-P-C4' energy: -72.391 flat angles P-C4'-P energy: -29.624 tors. eta vs tors. theta energy: 16.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1715.451010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.451010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.451010 (E_RNA) where: Base-Base interactions energy: -1181.848 where: short stacking energy: -524.624 Base-Backbone interact. energy: -1.544 local terms energy: -532.058507 where: bonds (distance) C4'-P energy: -91.287 bonds (distance) P-C4' energy: -95.786 flat angles C4'-P-C4' energy: -111.209 flat angles P-C4'-P energy: -72.605 tors. eta vs tors. theta energy: -161.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1632.012999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.012999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.012999 (E_RNA) where: Base-Base interactions energy: -1137.816 where: short stacking energy: -486.538 Base-Backbone interact. energy: -2.317 local terms energy: -491.879266 where: bonds (distance) C4'-P energy: -81.024 bonds (distance) P-C4' energy: -92.136 flat angles C4'-P-C4' energy: -106.159 flat angles P-C4'-P energy: -60.251 tors. eta vs tors. theta energy: -152.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1541.245511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.245511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.245511 (E_RNA) where: Base-Base interactions energy: -1037.228 where: short stacking energy: -482.761 Base-Backbone interact. energy: 0.833 local terms energy: -504.850187 where: bonds (distance) C4'-P energy: -89.573 bonds (distance) P-C4' energy: -91.486 flat angles C4'-P-C4' energy: -99.175 flat angles P-C4'-P energy: -72.992 tors. eta vs tors. theta energy: -151.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1491.372416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.372416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.372416 (E_RNA) where: Base-Base interactions energy: -1032.085 where: short stacking energy: -454.179 Base-Backbone interact. energy: -2.154 local terms energy: -457.133271 where: bonds (distance) C4'-P energy: -80.317 bonds (distance) P-C4' energy: -81.482 flat angles C4'-P-C4' energy: -101.943 flat angles P-C4'-P energy: -59.705 tors. eta vs tors. theta energy: -133.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1450.643103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.643103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.643103 (E_RNA) where: Base-Base interactions energy: -1001.995 where: short stacking energy: -442.458 Base-Backbone interact. energy: -0.545 local terms energy: -448.103137 where: bonds (distance) C4'-P energy: -64.095 bonds (distance) P-C4' energy: -85.676 flat angles C4'-P-C4' energy: -101.421 flat angles P-C4'-P energy: -69.143 tors. eta vs tors. theta energy: -127.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1229.625193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.625193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.625193 (E_RNA) where: Base-Base interactions energy: -793.471 where: short stacking energy: -358.630 Base-Backbone interact. energy: -0.970 local terms energy: -435.184280 where: bonds (distance) C4'-P energy: -82.331 bonds (distance) P-C4' energy: -85.690 flat angles C4'-P-C4' energy: -94.120 flat angles P-C4'-P energy: -63.065 tors. eta vs tors. theta energy: -109.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -937.788852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.788852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.788852 (E_RNA) where: Base-Base interactions energy: -602.231 where: short stacking energy: -264.516 Base-Backbone interact. energy: -0.384 local terms energy: -335.173085 where: bonds (distance) C4'-P energy: -77.823 bonds (distance) P-C4' energy: -86.132 flat angles C4'-P-C4' energy: -81.955 flat angles P-C4'-P energy: -38.277 tors. eta vs tors. theta energy: -50.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -682.956027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.956027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.956027 (E_RNA) where: Base-Base interactions energy: -378.089 where: short stacking energy: -209.886 Base-Backbone interact. energy: 0.813 local terms energy: -305.679971 where: bonds (distance) C4'-P energy: -76.860 bonds (distance) P-C4' energy: -78.749 flat angles C4'-P-C4' energy: -73.130 flat angles P-C4'-P energy: -40.587 tors. eta vs tors. theta energy: -36.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -563.889582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.889582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.889582 (E_RNA) where: Base-Base interactions energy: -300.978 where: short stacking energy: -173.781 Base-Backbone interact. energy: -1.820 local terms energy: -261.091006 where: bonds (distance) C4'-P energy: -65.520 bonds (distance) P-C4' energy: -79.582 flat angles C4'-P-C4' energy: -69.370 flat angles P-C4'-P energy: -38.725 tors. eta vs tors. theta energy: -7.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -470.791371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.791371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.791371 (E_RNA) where: Base-Base interactions energy: -199.563 where: short stacking energy: -136.296 Base-Backbone interact. energy: -1.230 local terms energy: -269.999037 where: bonds (distance) C4'-P energy: -76.251 bonds (distance) P-C4' energy: -85.208 flat angles C4'-P-C4' energy: -74.265 flat angles P-C4'-P energy: -37.663 tors. eta vs tors. theta energy: 3.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1709.903627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.903627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.903627 (E_RNA) where: Base-Base interactions energy: -1184.054 where: short stacking energy: -529.885 Base-Backbone interact. energy: 0.664 local terms energy: -526.513266 where: bonds (distance) C4'-P energy: -83.141 bonds (distance) P-C4' energy: -90.489 flat angles C4'-P-C4' energy: -117.068 flat angles P-C4'-P energy: -80.470 tors. eta vs tors. theta energy: -155.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1609.957117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.957117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.957117 (E_RNA) where: Base-Base interactions energy: -1108.980 where: short stacking energy: -490.624 Base-Backbone interact. energy: -3.506 local terms energy: -497.471479 where: bonds (distance) C4'-P energy: -88.975 bonds (distance) P-C4' energy: -89.978 flat angles C4'-P-C4' energy: -107.799 flat angles P-C4'-P energy: -64.635 tors. eta vs tors. theta energy: -146.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1560.730995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.730995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.730995 (E_RNA) where: Base-Base interactions energy: -1042.056 where: short stacking energy: -485.104 Base-Backbone interact. energy: -1.481 local terms energy: -517.194325 where: bonds (distance) C4'-P energy: -98.036 bonds (distance) P-C4' energy: -94.168 flat angles C4'-P-C4' energy: -102.882 flat angles P-C4'-P energy: -64.122 tors. eta vs tors. theta energy: -157.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1508.025047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.025047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.025047 (E_RNA) where: Base-Base interactions energy: -1036.803 where: short stacking energy: -467.898 Base-Backbone interact. energy: -2.938 local terms energy: -468.283862 where: bonds (distance) C4'-P energy: -82.722 bonds (distance) P-C4' energy: -77.054 flat angles C4'-P-C4' energy: -99.356 flat angles P-C4'-P energy: -68.668 tors. eta vs tors. theta energy: -140.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1444.803319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.803319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.803319 (E_RNA) where: Base-Base interactions energy: -996.115 where: short stacking energy: -420.852 Base-Backbone interact. energy: -1.580 local terms energy: -447.108453 where: bonds (distance) C4'-P energy: -94.996 bonds (distance) P-C4' energy: -69.745 flat angles C4'-P-C4' energy: -102.596 flat angles P-C4'-P energy: -46.896 tors. eta vs tors. theta energy: -132.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1228.206105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.206105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.206105 (E_RNA) where: Base-Base interactions energy: -795.215 where: short stacking energy: -377.218 Base-Backbone interact. energy: 4.236 local terms energy: -437.227117 where: bonds (distance) C4'-P energy: -84.326 bonds (distance) P-C4' energy: -83.527 flat angles C4'-P-C4' energy: -92.346 flat angles P-C4'-P energy: -66.256 tors. eta vs tors. theta energy: -110.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -952.829014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.829014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.829014 (E_RNA) where: Base-Base interactions energy: -600.050 where: short stacking energy: -289.411 Base-Backbone interact. energy: -1.220 local terms energy: -351.559244 where: bonds (distance) C4'-P energy: -84.928 bonds (distance) P-C4' energy: -78.254 flat angles C4'-P-C4' energy: -80.057 flat angles P-C4'-P energy: -38.433 tors. eta vs tors. theta energy: -69.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -742.791699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.791699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.791699 (E_RNA) where: Base-Base interactions energy: -427.476 where: short stacking energy: -255.437 Base-Backbone interact. energy: 1.105 local terms energy: -316.420876 where: bonds (distance) C4'-P energy: -74.506 bonds (distance) P-C4' energy: -70.336 flat angles C4'-P-C4' energy: -78.008 flat angles P-C4'-P energy: -51.984 tors. eta vs tors. theta energy: -41.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -584.224447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.224447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.224447 (E_RNA) where: Base-Base interactions energy: -283.521 where: short stacking energy: -145.186 Base-Backbone interact. energy: 3.857 local terms energy: -304.560695 where: bonds (distance) C4'-P energy: -79.480 bonds (distance) P-C4' energy: -90.299 flat angles C4'-P-C4' energy: -90.740 flat angles P-C4'-P energy: -42.390 tors. eta vs tors. theta energy: -1.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -485.722947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.722947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.722947 (E_RNA) where: Base-Base interactions energy: -239.985 where: short stacking energy: -138.701 Base-Backbone interact. energy: 1.355 local terms energy: -247.093372 where: bonds (distance) C4'-P energy: -58.330 bonds (distance) P-C4' energy: -74.948 flat angles C4'-P-C4' energy: -65.009 flat angles P-C4'-P energy: -52.448 tors. eta vs tors. theta energy: 3.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1729.523440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.523440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.523440 (E_RNA) where: Base-Base interactions energy: -1183.959 where: short stacking energy: -523.028 Base-Backbone interact. energy: -0.986 local terms energy: -544.579150 where: bonds (distance) C4'-P energy: -96.447 bonds (distance) P-C4' energy: -87.694 flat angles C4'-P-C4' energy: -116.451 flat angles P-C4'-P energy: -70.963 tors. eta vs tors. theta energy: -173.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1611.754626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.754626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.754626 (E_RNA) where: Base-Base interactions energy: -1127.718 where: short stacking energy: -485.958 Base-Backbone interact. energy: -1.544 local terms energy: -482.492175 where: bonds (distance) C4'-P energy: -80.750 bonds (distance) P-C4' energy: -89.767 flat angles C4'-P-C4' energy: -96.908 flat angles P-C4'-P energy: -69.934 tors. eta vs tors. theta energy: -145.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1559.956195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.956195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.956195 (E_RNA) where: Base-Base interactions energy: -1082.826 where: short stacking energy: -466.371 Base-Backbone interact. energy: -3.803 local terms energy: -473.327084 where: bonds (distance) C4'-P energy: -74.474 bonds (distance) P-C4' energy: -92.965 flat angles C4'-P-C4' energy: -103.680 flat angles P-C4'-P energy: -65.041 tors. eta vs tors. theta energy: -137.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1520.719602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.719602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.719602 (E_RNA) where: Base-Base interactions energy: -1040.716 where: short stacking energy: -487.754 Base-Backbone interact. energy: -2.031 local terms energy: -477.972973 where: bonds (distance) C4'-P energy: -82.939 bonds (distance) P-C4' energy: -86.868 flat angles C4'-P-C4' energy: -106.872 flat angles P-C4'-P energy: -56.597 tors. eta vs tors. theta energy: -144.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1443.370225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.370225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.370225 (E_RNA) where: Base-Base interactions energy: -1008.531 where: short stacking energy: -417.256 Base-Backbone interact. energy: -0.680 local terms energy: -434.159124 where: bonds (distance) C4'-P energy: -95.526 bonds (distance) P-C4' energy: -74.877 flat angles C4'-P-C4' energy: -91.188 flat angles P-C4'-P energy: -57.200 tors. eta vs tors. theta energy: -115.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1212.877617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.877617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.877617 (E_RNA) where: Base-Base interactions energy: -792.111 where: short stacking energy: -354.630 Base-Backbone interact. energy: -0.511 local terms energy: -420.255576 where: bonds (distance) C4'-P energy: -71.661 bonds (distance) P-C4' energy: -100.087 flat angles C4'-P-C4' energy: -99.707 flat angles P-C4'-P energy: -55.527 tors. eta vs tors. theta energy: -93.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -931.082517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.082517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.082517 (E_RNA) where: Base-Base interactions energy: -569.483 where: short stacking energy: -282.646 Base-Backbone interact. energy: -1.062 local terms energy: -360.537440 where: bonds (distance) C4'-P energy: -91.211 bonds (distance) P-C4' energy: -74.279 flat angles C4'-P-C4' energy: -83.916 flat angles P-C4'-P energy: -47.252 tors. eta vs tors. theta energy: -63.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -693.588567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.588567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.588567 (E_RNA) where: Base-Base interactions energy: -412.041 where: short stacking energy: -224.184 Base-Backbone interact. energy: -0.381 local terms energy: -281.167301 where: bonds (distance) C4'-P energy: -77.120 bonds (distance) P-C4' energy: -74.583 flat angles C4'-P-C4' energy: -66.454 flat angles P-C4'-P energy: -39.400 tors. eta vs tors. theta energy: -23.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -519.694945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.694945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.694945 (E_RNA) where: Base-Base interactions energy: -242.807 where: short stacking energy: -152.761 Base-Backbone interact. energy: -0.896 local terms energy: -275.991859 where: bonds (distance) C4'-P energy: -79.056 bonds (distance) P-C4' energy: -81.624 flat angles C4'-P-C4' energy: -63.739 flat angles P-C4'-P energy: -34.644 tors. eta vs tors. theta energy: -16.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -575.724490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.724490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.724490 (E_RNA) where: Base-Base interactions energy: -325.279 where: short stacking energy: -185.571 Base-Backbone interact. energy: 2.586 local terms energy: -253.030733 where: bonds (distance) C4'-P energy: -52.687 bonds (distance) P-C4' energy: -79.120 flat angles C4'-P-C4' energy: -66.531 flat angles P-C4'-P energy: -45.087 tors. eta vs tors. theta energy: -9.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1736.403811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.403811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.403811 (E_RNA) where: Base-Base interactions energy: -1207.970 where: short stacking energy: -525.703 Base-Backbone interact. energy: -1.427 local terms energy: -527.006756 where: bonds (distance) C4'-P energy: -88.548 bonds (distance) P-C4' energy: -98.043 flat angles C4'-P-C4' energy: -94.343 flat angles P-C4'-P energy: -75.422 tors. eta vs tors. theta energy: -170.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1613.174180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.174180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.174180 (E_RNA) where: Base-Base interactions energy: -1086.742 where: short stacking energy: -460.012 Base-Backbone interact. energy: -2.895 local terms energy: -523.537122 where: bonds (distance) C4'-P energy: -92.607 bonds (distance) P-C4' energy: -108.256 flat angles C4'-P-C4' energy: -104.324 flat angles P-C4'-P energy: -75.084 tors. eta vs tors. theta energy: -143.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1577.215463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.215463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.215463 (E_RNA) where: Base-Base interactions energy: -1109.901 where: short stacking energy: -475.738 Base-Backbone interact. energy: -0.352 local terms energy: -466.962255 where: bonds (distance) C4'-P energy: -69.625 bonds (distance) P-C4' energy: -81.350 flat angles C4'-P-C4' energy: -94.718 flat angles P-C4'-P energy: -75.826 tors. eta vs tors. theta energy: -145.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1513.471699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.471699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.471699 (E_RNA) where: Base-Base interactions energy: -1029.348 where: short stacking energy: -451.745 Base-Backbone interact. energy: 0.358 local terms energy: -484.481917 where: bonds (distance) C4'-P energy: -91.992 bonds (distance) P-C4' energy: -81.172 flat angles C4'-P-C4' energy: -103.128 flat angles P-C4'-P energy: -63.913 tors. eta vs tors. theta energy: -144.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1451.030913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.030913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.030913 (E_RNA) where: Base-Base interactions energy: -1010.235 where: short stacking energy: -442.617 Base-Backbone interact. energy: -2.336 local terms energy: -438.460039 where: bonds (distance) C4'-P energy: -67.432 bonds (distance) P-C4' energy: -81.284 flat angles C4'-P-C4' energy: -104.396 flat angles P-C4'-P energy: -60.706 tors. eta vs tors. theta energy: -124.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1193.035936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.035936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.035936 (E_RNA) where: Base-Base interactions energy: -786.793 where: short stacking energy: -361.343 Base-Backbone interact. energy: -2.007 local terms energy: -404.236180 where: bonds (distance) C4'-P energy: -78.150 bonds (distance) P-C4' energy: -92.158 flat angles C4'-P-C4' energy: -107.554 flat angles P-C4'-P energy: -39.691 tors. eta vs tors. theta energy: -86.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -961.455847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.455847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.455847 (E_RNA) where: Base-Base interactions energy: -592.065 where: short stacking energy: -283.103 Base-Backbone interact. energy: 0.873 local terms energy: -370.264446 where: bonds (distance) C4'-P energy: -79.749 bonds (distance) P-C4' energy: -92.175 flat angles C4'-P-C4' energy: -79.090 flat angles P-C4'-P energy: -56.761 tors. eta vs tors. theta energy: -62.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -694.729591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.729591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.729591 (E_RNA) where: Base-Base interactions energy: -403.375 where: short stacking energy: -212.492 Base-Backbone interact. energy: -2.292 local terms energy: -289.063387 where: bonds (distance) C4'-P energy: -64.930 bonds (distance) P-C4' energy: -76.010 flat angles C4'-P-C4' energy: -71.862 flat angles P-C4'-P energy: -50.401 tors. eta vs tors. theta energy: -25.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -571.115754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.115754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.115754 (E_RNA) where: Base-Base interactions energy: -277.557 where: short stacking energy: -159.728 Base-Backbone interact. energy: -0.521 local terms energy: -293.038082 where: bonds (distance) C4'-P energy: -72.636 bonds (distance) P-C4' energy: -89.706 flat angles C4'-P-C4' energy: -73.301 flat angles P-C4'-P energy: -44.794 tors. eta vs tors. theta energy: -12.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -561.938015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.938015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.938015 (E_RNA) where: Base-Base interactions energy: -302.985 where: short stacking energy: -162.453 Base-Backbone interact. energy: -2.248 local terms energy: -256.704899 where: bonds (distance) C4'-P energy: -68.279 bonds (distance) P-C4' energy: -86.837 flat angles C4'-P-C4' energy: -58.453 flat angles P-C4'-P energy: -34.391 tors. eta vs tors. theta energy: -8.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1700.743511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.743511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.743511 (E_RNA) where: Base-Base interactions energy: -1152.820 where: short stacking energy: -509.504 Base-Backbone interact. energy: -1.627 local terms energy: -546.296191 where: bonds (distance) C4'-P energy: -93.314 bonds (distance) P-C4' energy: -102.776 flat angles C4'-P-C4' energy: -116.897 flat angles P-C4'-P energy: -75.154 tors. eta vs tors. theta energy: -158.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1584.836684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.836684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.836684 (E_RNA) where: Base-Base interactions energy: -1079.011 where: short stacking energy: -473.793 Base-Backbone interact. energy: -3.667 local terms energy: -502.158478 where: bonds (distance) C4'-P energy: -87.521 bonds (distance) P-C4' energy: -94.620 flat angles C4'-P-C4' energy: -104.993 flat angles P-C4'-P energy: -74.244 tors. eta vs tors. theta energy: -140.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1553.149049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.149049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.149049 (E_RNA) where: Base-Base interactions energy: -1031.034 where: short stacking energy: -488.810 Base-Backbone interact. energy: -0.686 local terms energy: -521.429113 where: bonds (distance) C4'-P energy: -91.232 bonds (distance) P-C4' energy: -95.771 flat angles C4'-P-C4' energy: -110.525 flat angles P-C4'-P energy: -72.026 tors. eta vs tors. theta energy: -151.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1531.404673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.404673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.404673 (E_RNA) where: Base-Base interactions energy: -1050.924 where: short stacking energy: -459.414 Base-Backbone interact. energy: -2.822 local terms energy: -477.658942 where: bonds (distance) C4'-P energy: -89.928 bonds (distance) P-C4' energy: -86.595 flat angles C4'-P-C4' energy: -93.530 flat angles P-C4'-P energy: -67.928 tors. eta vs tors. theta energy: -139.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1441.484529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.484529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.484529 (E_RNA) where: Base-Base interactions energy: -995.814 where: short stacking energy: -415.247 Base-Backbone interact. energy: 0.388 local terms energy: -446.059319 where: bonds (distance) C4'-P energy: -90.525 bonds (distance) P-C4' energy: -83.330 flat angles C4'-P-C4' energy: -96.975 flat angles P-C4'-P energy: -60.522 tors. eta vs tors. theta energy: -114.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1235.874199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.874199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.874199 (E_RNA) where: Base-Base interactions energy: -803.150 where: short stacking energy: -377.867 Base-Backbone interact. energy: -0.893 local terms energy: -431.831570 where: bonds (distance) C4'-P energy: -74.559 bonds (distance) P-C4' energy: -93.466 flat angles C4'-P-C4' energy: -88.931 flat angles P-C4'-P energy: -69.120 tors. eta vs tors. theta energy: -105.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1056.984189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.984189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.984189 (E_RNA) where: Base-Base interactions energy: -676.435 where: short stacking energy: -301.606 Base-Backbone interact. energy: 0.701 local terms energy: -381.250283 where: bonds (distance) C4'-P energy: -83.288 bonds (distance) P-C4' energy: -90.212 flat angles C4'-P-C4' energy: -88.423 flat angles P-C4'-P energy: -54.559 tors. eta vs tors. theta energy: -64.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -685.414322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.414322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.414322 (E_RNA) where: Base-Base interactions energy: -358.933 where: short stacking energy: -213.593 Base-Backbone interact. energy: -2.311 local terms energy: -324.169846 where: bonds (distance) C4'-P energy: -89.935 bonds (distance) P-C4' energy: -75.887 flat angles C4'-P-C4' energy: -83.939 flat angles P-C4'-P energy: -42.944 tors. eta vs tors. theta energy: -31.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -617.719469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.719469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.719469 (E_RNA) where: Base-Base interactions energy: -340.237 where: short stacking energy: -156.913 Base-Backbone interact. energy: -1.810 local terms energy: -275.672955 where: bonds (distance) C4'-P energy: -62.247 bonds (distance) P-C4' energy: -91.243 flat angles C4'-P-C4' energy: -69.930 flat angles P-C4'-P energy: -43.096 tors. eta vs tors. theta energy: -9.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -528.174516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.174516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.174516 (E_RNA) where: Base-Base interactions energy: -283.316 where: short stacking energy: -182.966 Base-Backbone interact. energy: 13.461 local terms energy: -258.319227 where: bonds (distance) C4'-P energy: -72.454 bonds (distance) P-C4' energy: -75.662 flat angles C4'-P-C4' energy: -60.283 flat angles P-C4'-P energy: -38.958 tors. eta vs tors. theta energy: -10.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1705.643259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.643259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.643259 (E_RNA) where: Base-Base interactions energy: -1185.003 where: short stacking energy: -512.814 Base-Backbone interact. energy: -2.993 local terms energy: -517.647007 where: bonds (distance) C4'-P energy: -97.228 bonds (distance) P-C4' energy: -78.400 flat angles C4'-P-C4' energy: -100.503 flat angles P-C4'-P energy: -78.365 tors. eta vs tors. theta energy: -163.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1615.376298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.376298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.376298 (E_RNA) where: Base-Base interactions energy: -1090.557 where: short stacking energy: -492.982 Base-Backbone interact. energy: -0.964 local terms energy: -523.856018 where: bonds (distance) C4'-P energy: -95.099 bonds (distance) P-C4' energy: -96.259 flat angles C4'-P-C4' energy: -110.497 flat angles P-C4'-P energy: -67.548 tors. eta vs tors. theta energy: -154.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1567.680211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.680211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.680211 (E_RNA) where: Base-Base interactions energy: -1089.628 where: short stacking energy: -469.066 Base-Backbone interact. energy: -1.848 local terms energy: -476.204257 where: bonds (distance) C4'-P energy: -83.953 bonds (distance) P-C4' energy: -82.376 flat angles C4'-P-C4' energy: -102.100 flat angles P-C4'-P energy: -70.919 tors. eta vs tors. theta energy: -136.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1521.396463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.396463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.396463 (E_RNA) where: Base-Base interactions energy: -1044.443 where: short stacking energy: -453.876 Base-Backbone interact. energy: -0.580 local terms energy: -476.373678 where: bonds (distance) C4'-P energy: -88.328 bonds (distance) P-C4' energy: -79.780 flat angles C4'-P-C4' energy: -102.848 flat angles P-C4'-P energy: -62.510 tors. eta vs tors. theta energy: -142.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1449.069388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.069388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.069388 (E_RNA) where: Base-Base interactions energy: -1014.249 where: short stacking energy: -423.300 Base-Backbone interact. energy: -0.542 local terms energy: -434.278836 where: bonds (distance) C4'-P energy: -72.092 bonds (distance) P-C4' energy: -77.847 flat angles C4'-P-C4' energy: -96.476 flat angles P-C4'-P energy: -58.716 tors. eta vs tors. theta energy: -129.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1202.608494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.608494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.608494 (E_RNA) where: Base-Base interactions energy: -780.456 where: short stacking energy: -364.717 Base-Backbone interact. energy: -2.343 local terms energy: -419.809587 where: bonds (distance) C4'-P energy: -80.644 bonds (distance) P-C4' energy: -89.251 flat angles C4'-P-C4' energy: -96.075 flat angles P-C4'-P energy: -68.190 tors. eta vs tors. theta energy: -85.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1082.244550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.244550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.244550 (E_RNA) where: Base-Base interactions energy: -694.195 where: short stacking energy: -333.607 Base-Backbone interact. energy: -2.321 local terms energy: -385.729465 where: bonds (distance) C4'-P energy: -74.259 bonds (distance) P-C4' energy: -87.870 flat angles C4'-P-C4' energy: -79.797 flat angles P-C4'-P energy: -52.697 tors. eta vs tors. theta energy: -91.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -692.295827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.295827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.295827 (E_RNA) where: Base-Base interactions energy: -367.315 where: short stacking energy: -181.304 Base-Backbone interact. energy: 0.361 local terms energy: -325.342303 where: bonds (distance) C4'-P energy: -83.425 bonds (distance) P-C4' energy: -91.488 flat angles C4'-P-C4' energy: -63.766 flat angles P-C4'-P energy: -54.000 tors. eta vs tors. theta energy: -32.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -576.389598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.389598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.389598 (E_RNA) where: Base-Base interactions energy: -301.550 where: short stacking energy: -191.127 Base-Backbone interact. energy: 1.731 local terms energy: -276.570765 where: bonds (distance) C4'-P energy: -59.602 bonds (distance) P-C4' energy: -80.526 flat angles C4'-P-C4' energy: -69.726 flat angles P-C4'-P energy: -52.786 tors. eta vs tors. theta energy: -13.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -535.207540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.207540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.207540 (E_RNA) where: Base-Base interactions energy: -269.505 where: short stacking energy: -141.474 Base-Backbone interact. energy: 3.313 local terms energy: -269.015694 where: bonds (distance) C4'-P energy: -63.595 bonds (distance) P-C4' energy: -84.619 flat angles C4'-P-C4' energy: -68.524 flat angles P-C4'-P energy: -50.582 tors. eta vs tors. theta energy: -1.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1689.839875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.839875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.839875 (E_RNA) where: Base-Base interactions energy: -1155.834 where: short stacking energy: -521.820 Base-Backbone interact. energy: 1.639 local terms energy: -535.644662 where: bonds (distance) C4'-P energy: -93.873 bonds (distance) P-C4' energy: -97.310 flat angles C4'-P-C4' energy: -113.675 flat angles P-C4'-P energy: -69.032 tors. eta vs tors. theta energy: -161.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1597.434193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.434193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.434193 (E_RNA) where: Base-Base interactions energy: -1089.407 where: short stacking energy: -496.210 Base-Backbone interact. energy: -1.168 local terms energy: -506.859115 where: bonds (distance) C4'-P energy: -83.532 bonds (distance) P-C4' energy: -95.602 flat angles C4'-P-C4' energy: -108.085 flat angles P-C4'-P energy: -62.417 tors. eta vs tors. theta energy: -157.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1577.927542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.927542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.927542 (E_RNA) where: Base-Base interactions energy: -1094.279 where: short stacking energy: -466.974 Base-Backbone interact. energy: 1.383 local terms energy: -485.031756 where: bonds (distance) C4'-P energy: -86.353 bonds (distance) P-C4' energy: -92.008 flat angles C4'-P-C4' energy: -99.227 flat angles P-C4'-P energy: -67.327 tors. eta vs tors. theta energy: -140.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1504.472471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.472471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.472471 (E_RNA) where: Base-Base interactions energy: -1033.009 where: short stacking energy: -433.742 Base-Backbone interact. energy: 2.587 local terms energy: -474.050257 where: bonds (distance) C4'-P energy: -90.298 bonds (distance) P-C4' energy: -90.913 flat angles C4'-P-C4' energy: -90.201 flat angles P-C4'-P energy: -66.372 tors. eta vs tors. theta energy: -136.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1435.852202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.852202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.852202 (E_RNA) where: Base-Base interactions energy: -983.652 where: short stacking energy: -419.609 Base-Backbone interact. energy: -0.482 local terms energy: -451.718557 where: bonds (distance) C4'-P energy: -71.992 bonds (distance) P-C4' energy: -86.951 flat angles C4'-P-C4' energy: -102.896 flat angles P-C4'-P energy: -68.766 tors. eta vs tors. theta energy: -121.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1303.023986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.023986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.023986 (E_RNA) where: Base-Base interactions energy: -865.089 where: short stacking energy: -410.770 Base-Backbone interact. energy: -1.727 local terms energy: -436.208033 where: bonds (distance) C4'-P energy: -73.750 bonds (distance) P-C4' energy: -88.682 flat angles C4'-P-C4' energy: -97.799 flat angles P-C4'-P energy: -54.856 tors. eta vs tors. theta energy: -121.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1025.816623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.816623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.816623 (E_RNA) where: Base-Base interactions energy: -646.892 where: short stacking energy: -309.254 Base-Backbone interact. energy: -1.509 local terms energy: -377.416514 where: bonds (distance) C4'-P energy: -83.374 bonds (distance) P-C4' energy: -88.489 flat angles C4'-P-C4' energy: -81.869 flat angles P-C4'-P energy: -54.361 tors. eta vs tors. theta energy: -69.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -724.108025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.108025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.108025 (E_RNA) where: Base-Base interactions energy: -419.223 where: short stacking energy: -218.277 Base-Backbone interact. energy: -2.740 local terms energy: -302.145627 where: bonds (distance) C4'-P energy: -81.576 bonds (distance) P-C4' energy: -84.072 flat angles C4'-P-C4' energy: -75.104 flat angles P-C4'-P energy: -37.137 tors. eta vs tors. theta energy: -24.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -642.429685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.429685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.429685 (E_RNA) where: Base-Base interactions energy: -338.048 where: short stacking energy: -188.422 Base-Backbone interact. energy: -1.400 local terms energy: -302.981934 where: bonds (distance) C4'-P energy: -79.522 bonds (distance) P-C4' energy: -79.519 flat angles C4'-P-C4' energy: -71.851 flat angles P-C4'-P energy: -43.676 tors. eta vs tors. theta energy: -28.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -566.268012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.268012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.268012 (E_RNA) where: Base-Base interactions energy: -303.087 where: short stacking energy: -172.912 Base-Backbone interact. energy: -2.660 local terms energy: -260.521198 where: bonds (distance) C4'-P energy: -73.989 bonds (distance) P-C4' energy: -67.561 flat angles C4'-P-C4' energy: -74.768 flat angles P-C4'-P energy: -46.091 tors. eta vs tors. theta energy: 1.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1706.137977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.137977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.137977 (E_RNA) where: Base-Base interactions energy: -1177.614 where: short stacking energy: -509.657 Base-Backbone interact. energy: -1.892 local terms energy: -526.631714 where: bonds (distance) C4'-P energy: -92.849 bonds (distance) P-C4' energy: -92.398 flat angles C4'-P-C4' energy: -109.449 flat angles P-C4'-P energy: -73.556 tors. eta vs tors. theta energy: -158.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1620.735945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.735945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.735945 (E_RNA) where: Base-Base interactions energy: -1077.780 where: short stacking energy: -493.044 Base-Backbone interact. energy: -0.574 local terms energy: -542.382484 where: bonds (distance) C4'-P energy: -95.124 bonds (distance) P-C4' energy: -94.554 flat angles C4'-P-C4' energy: -116.327 flat angles P-C4'-P energy: -76.336 tors. eta vs tors. theta energy: -160.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1566.806979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.806979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.806979 (E_RNA) where: Base-Base interactions energy: -1062.633 where: short stacking energy: -454.138 Base-Backbone interact. energy: -4.679 local terms energy: -499.495496 where: bonds (distance) C4'-P energy: -85.753 bonds (distance) P-C4' energy: -87.972 flat angles C4'-P-C4' energy: -103.497 flat angles P-C4'-P energy: -80.639 tors. eta vs tors. theta energy: -141.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1516.246470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.246470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.246470 (E_RNA) where: Base-Base interactions energy: -1039.469 where: short stacking energy: -459.264 Base-Backbone interact. energy: -0.622 local terms energy: -476.155465 where: bonds (distance) C4'-P energy: -84.844 bonds (distance) P-C4' energy: -89.315 flat angles C4'-P-C4' energy: -100.578 flat angles P-C4'-P energy: -64.768 tors. eta vs tors. theta energy: -136.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1422.529901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.529901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.529901 (E_RNA) where: Base-Base interactions energy: -980.852 where: short stacking energy: -419.320 Base-Backbone interact. energy: -2.654 local terms energy: -439.023626 where: bonds (distance) C4'-P energy: -88.808 bonds (distance) P-C4' energy: -84.612 flat angles C4'-P-C4' energy: -89.962 flat angles P-C4'-P energy: -65.204 tors. eta vs tors. theta energy: -110.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1320.066718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.066718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.066718 (E_RNA) where: Base-Base interactions energy: -888.512 where: short stacking energy: -382.830 Base-Backbone interact. energy: -0.338 local terms energy: -431.217641 where: bonds (distance) C4'-P energy: -65.879 bonds (distance) P-C4' energy: -98.522 flat angles C4'-P-C4' energy: -93.472 flat angles P-C4'-P energy: -61.776 tors. eta vs tors. theta energy: -111.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -949.574012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.574012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.574012 (E_RNA) where: Base-Base interactions energy: -594.549 where: short stacking energy: -280.545 Base-Backbone interact. energy: -1.295 local terms energy: -353.729456 where: bonds (distance) C4'-P energy: -80.082 bonds (distance) P-C4' energy: -81.141 flat angles C4'-P-C4' energy: -88.847 flat angles P-C4'-P energy: -39.987 tors. eta vs tors. theta energy: -63.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -629.228239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.228239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.228239 (E_RNA) where: Base-Base interactions energy: -320.044 where: short stacking energy: -184.327 Base-Backbone interact. energy: -1.110 local terms energy: -308.074137 where: bonds (distance) C4'-P energy: -69.846 bonds (distance) P-C4' energy: -90.676 flat angles C4'-P-C4' energy: -84.292 flat angles P-C4'-P energy: -56.764 tors. eta vs tors. theta energy: -6.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -640.954240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.954240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.954240 (E_RNA) where: Base-Base interactions energy: -348.309 where: short stacking energy: -183.385 Base-Backbone interact. energy: -3.078 local terms energy: -289.567043 where: bonds (distance) C4'-P energy: -78.035 bonds (distance) P-C4' energy: -76.855 flat angles C4'-P-C4' energy: -82.690 flat angles P-C4'-P energy: -46.561 tors. eta vs tors. theta energy: -5.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -495.911528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.911528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.911528 (E_RNA) where: Base-Base interactions energy: -204.490 where: short stacking energy: -123.133 Base-Backbone interact. energy: 2.110 local terms energy: -293.530837 where: bonds (distance) C4'-P energy: -76.424 bonds (distance) P-C4' energy: -93.474 flat angles C4'-P-C4' energy: -81.229 flat angles P-C4'-P energy: -38.461 tors. eta vs tors. theta energy: -3.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1705.520244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.520244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.520244 (E_RNA) where: Base-Base interactions energy: -1159.917 where: short stacking energy: -528.896 Base-Backbone interact. energy: -1.873 local terms energy: -543.729956 where: bonds (distance) C4'-P energy: -92.144 bonds (distance) P-C4' energy: -90.538 flat angles C4'-P-C4' energy: -117.387 flat angles P-C4'-P energy: -79.068 tors. eta vs tors. theta energy: -164.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1592.229259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.229259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.229259 (E_RNA) where: Base-Base interactions energy: -1059.107 where: short stacking energy: -493.173 Base-Backbone interact. energy: -2.160 local terms energy: -530.961859 where: bonds (distance) C4'-P energy: -92.522 bonds (distance) P-C4' energy: -99.060 flat angles C4'-P-C4' energy: -113.092 flat angles P-C4'-P energy: -66.787 tors. eta vs tors. theta energy: -159.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1546.234455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.234455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.234455 (E_RNA) where: Base-Base interactions energy: -1041.490 where: short stacking energy: -468.524 Base-Backbone interact. energy: 1.551 local terms energy: -506.296196 where: bonds (distance) C4'-P energy: -96.149 bonds (distance) P-C4' energy: -89.283 flat angles C4'-P-C4' energy: -110.215 flat angles P-C4'-P energy: -67.317 tors. eta vs tors. theta energy: -143.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1512.943823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.943823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.943823 (E_RNA) where: Base-Base interactions energy: -1045.585 where: short stacking energy: -461.307 Base-Backbone interact. energy: -0.511 local terms energy: -466.848561 where: bonds (distance) C4'-P energy: -81.500 bonds (distance) P-C4' energy: -71.823 flat angles C4'-P-C4' energy: -96.030 flat angles P-C4'-P energy: -69.873 tors. eta vs tors. theta energy: -147.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1407.671247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.671247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.671247 (E_RNA) where: Base-Base interactions energy: -970.201 where: short stacking energy: -398.496 Base-Backbone interact. energy: -1.954 local terms energy: -435.516111 where: bonds (distance) C4'-P energy: -80.755 bonds (distance) P-C4' energy: -85.829 flat angles C4'-P-C4' energy: -92.509 flat angles P-C4'-P energy: -63.744 tors. eta vs tors. theta energy: -112.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1202.244756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.244756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.244756 (E_RNA) where: Base-Base interactions energy: -789.330 where: short stacking energy: -363.364 Base-Backbone interact. energy: -2.234 local terms energy: -410.681269 where: bonds (distance) C4'-P energy: -86.129 bonds (distance) P-C4' energy: -78.990 flat angles C4'-P-C4' energy: -91.052 flat angles P-C4'-P energy: -56.343 tors. eta vs tors. theta energy: -98.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -942.980946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.980946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.980946 (E_RNA) where: Base-Base interactions energy: -584.120 where: short stacking energy: -293.904 Base-Backbone interact. energy: 3.207 local terms energy: -362.068158 where: bonds (distance) C4'-P energy: -85.017 bonds (distance) P-C4' energy: -84.464 flat angles C4'-P-C4' energy: -70.028 flat angles P-C4'-P energy: -47.728 tors. eta vs tors. theta energy: -74.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -709.094253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.094253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.094253 (E_RNA) where: Base-Base interactions energy: -405.918 where: short stacking energy: -228.772 Base-Backbone interact. energy: 0.014 local terms energy: -303.190473 where: bonds (distance) C4'-P energy: -76.383 bonds (distance) P-C4' energy: -72.102 flat angles C4'-P-C4' energy: -71.993 flat angles P-C4'-P energy: -47.218 tors. eta vs tors. theta energy: -35.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -693.795853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.795853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.795853 (E_RNA) where: Base-Base interactions energy: -379.807 where: short stacking energy: -208.980 Base-Backbone interact. energy: 2.088 local terms energy: -316.077074 where: bonds (distance) C4'-P energy: -84.455 bonds (distance) P-C4' energy: -67.253 flat angles C4'-P-C4' energy: -80.033 flat angles P-C4'-P energy: -59.470 tors. eta vs tors. theta energy: -24.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -460.429724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.429724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.429724 (E_RNA) where: Base-Base interactions energy: -223.909 where: short stacking energy: -125.601 Base-Backbone interact. energy: -3.859 local terms energy: -232.661154 where: bonds (distance) C4'-P energy: -77.171 bonds (distance) P-C4' energy: -69.757 flat angles C4'-P-C4' energy: -62.486 flat angles P-C4'-P energy: -34.683 tors. eta vs tors. theta energy: 11.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1712.770635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.770635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.770635 (E_RNA) where: Base-Base interactions energy: -1166.071 where: short stacking energy: -512.520 Base-Backbone interact. energy: 0.222 local terms energy: -546.920923 where: bonds (distance) C4'-P energy: -92.993 bonds (distance) P-C4' energy: -96.095 flat angles C4'-P-C4' energy: -115.120 flat angles P-C4'-P energy: -77.770 tors. eta vs tors. theta energy: -164.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1599.458845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.458845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.458845 (E_RNA) where: Base-Base interactions energy: -1071.484 where: short stacking energy: -485.947 Base-Backbone interact. energy: -2.620 local terms energy: -525.354791 where: bonds (distance) C4'-P energy: -85.851 bonds (distance) P-C4' energy: -92.647 flat angles C4'-P-C4' energy: -113.465 flat angles P-C4'-P energy: -75.628 tors. eta vs tors. theta energy: -157.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1573.786902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.786902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.786902 (E_RNA) where: Base-Base interactions energy: -1083.612 where: short stacking energy: -490.920 Base-Backbone interact. energy: -1.306 local terms energy: -488.868289 where: bonds (distance) C4'-P energy: -94.007 bonds (distance) P-C4' energy: -80.637 flat angles C4'-P-C4' energy: -97.930 flat angles P-C4'-P energy: -70.792 tors. eta vs tors. theta energy: -145.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1536.672174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.672174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.672174 (E_RNA) where: Base-Base interactions energy: -1063.318 where: short stacking energy: -442.464 Base-Backbone interact. energy: 0.970 local terms energy: -474.324194 where: bonds (distance) C4'-P energy: -83.823 bonds (distance) P-C4' energy: -86.916 flat angles C4'-P-C4' energy: -88.204 flat angles P-C4'-P energy: -74.428 tors. eta vs tors. theta energy: -140.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1460.393586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.393586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.393586 (E_RNA) where: Base-Base interactions energy: -1014.923 where: short stacking energy: -443.902 Base-Backbone interact. energy: 5.114 local terms energy: -450.584983 where: bonds (distance) C4'-P energy: -88.810 bonds (distance) P-C4' energy: -81.174 flat angles C4'-P-C4' energy: -103.001 flat angles P-C4'-P energy: -59.864 tors. eta vs tors. theta energy: -117.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -1190.677243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.677243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.677243 (E_RNA) where: Base-Base interactions energy: -791.853 where: short stacking energy: -350.974 Base-Backbone interact. energy: -0.961 local terms energy: -397.862635 where: bonds (distance) C4'-P energy: -78.377 bonds (distance) P-C4' energy: -83.424 flat angles C4'-P-C4' energy: -84.170 flat angles P-C4'-P energy: -61.754 tors. eta vs tors. theta energy: -90.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -965.393637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.393637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.393637 (E_RNA) where: Base-Base interactions energy: -603.456 where: short stacking energy: -283.011 Base-Backbone interact. energy: -1.002 local terms energy: -360.936106 where: bonds (distance) C4'-P energy: -86.432 bonds (distance) P-C4' energy: -83.368 flat angles C4'-P-C4' energy: -69.422 flat angles P-C4'-P energy: -60.161 tors. eta vs tors. theta energy: -61.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -772.193252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.193252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.193252 (E_RNA) where: Base-Base interactions energy: -441.385 where: short stacking energy: -246.918 Base-Backbone interact. energy: 1.179 local terms energy: -331.986972 where: bonds (distance) C4'-P energy: -86.022 bonds (distance) P-C4' energy: -85.724 flat angles C4'-P-C4' energy: -70.197 flat angles P-C4'-P energy: -40.867 tors. eta vs tors. theta energy: -49.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -609.398847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.398847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.398847 (E_RNA) where: Base-Base interactions energy: -354.270 where: short stacking energy: -175.195 Base-Backbone interact. energy: 2.277 local terms energy: -257.406207 where: bonds (distance) C4'-P energy: -73.416 bonds (distance) P-C4' energy: -69.187 flat angles C4'-P-C4' energy: -64.642 flat angles P-C4'-P energy: -40.201 tors. eta vs tors. theta energy: -9.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -485.331536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.331536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.331536 (E_RNA) where: Base-Base interactions energy: -233.863 where: short stacking energy: -142.470 Base-Backbone interact. energy: 0.850 local terms energy: -252.319277 where: bonds (distance) C4'-P energy: -76.492 bonds (distance) P-C4' energy: -73.165 flat angles C4'-P-C4' energy: -74.594 flat angles P-C4'-P energy: -27.059 tors. eta vs tors. theta energy: -1.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1700.892184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.892184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.892184 (E_RNA) where: Base-Base interactions energy: -1176.707 where: short stacking energy: -507.213 Base-Backbone interact. energy: -1.403 local terms energy: -522.781924 where: bonds (distance) C4'-P energy: -84.254 bonds (distance) P-C4' energy: -101.421 flat angles C4'-P-C4' energy: -108.236 flat angles P-C4'-P energy: -70.212 tors. eta vs tors. theta energy: -158.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1579.004497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.004497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.004497 (E_RNA) where: Base-Base interactions energy: -1073.879 where: short stacking energy: -502.249 Base-Backbone interact. energy: -1.562 local terms energy: -503.563587 where: bonds (distance) C4'-P energy: -86.226 bonds (distance) P-C4' energy: -84.876 flat angles C4'-P-C4' energy: -104.654 flat angles P-C4'-P energy: -73.445 tors. eta vs tors. theta energy: -154.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1559.686956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.686956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.686956 (E_RNA) where: Base-Base interactions energy: -1065.163 where: short stacking energy: -458.026 Base-Backbone interact. energy: -1.804 local terms energy: -492.720073 where: bonds (distance) C4'-P energy: -84.954 bonds (distance) P-C4' energy: -94.217 flat angles C4'-P-C4' energy: -109.306 flat angles P-C4'-P energy: -72.784 tors. eta vs tors. theta energy: -131.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1538.743575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.743575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.743575 (E_RNA) where: Base-Base interactions energy: -1058.902 where: short stacking energy: -467.977 Base-Backbone interact. energy: -2.127 local terms energy: -477.715050 where: bonds (distance) C4'-P energy: -76.776 bonds (distance) P-C4' energy: -92.964 flat angles C4'-P-C4' energy: -103.388 flat angles P-C4'-P energy: -64.636 tors. eta vs tors. theta energy: -139.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1436.257046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.257046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.257046 (E_RNA) where: Base-Base interactions energy: -990.113 where: short stacking energy: -430.672 Base-Backbone interact. energy: -1.167 local terms energy: -444.976605 where: bonds (distance) C4'-P energy: -83.287 bonds (distance) P-C4' energy: -82.579 flat angles C4'-P-C4' energy: -103.839 flat angles P-C4'-P energy: -54.777 tors. eta vs tors. theta energy: -120.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1178.785771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.785771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.785771 (E_RNA) where: Base-Base interactions energy: -761.699 where: short stacking energy: -358.224 Base-Backbone interact. energy: -0.816 local terms energy: -416.270683 where: bonds (distance) C4'-P energy: -82.365 bonds (distance) P-C4' energy: -97.097 flat angles C4'-P-C4' energy: -90.057 flat angles P-C4'-P energy: -50.669 tors. eta vs tors. theta energy: -96.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -981.459946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.459946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.459946 (E_RNA) where: Base-Base interactions energy: -616.404 where: short stacking energy: -288.425 Base-Backbone interact. energy: -0.827 local terms energy: -364.229353 where: bonds (distance) C4'-P energy: -79.666 bonds (distance) P-C4' energy: -87.903 flat angles C4'-P-C4' energy: -78.786 flat angles P-C4'-P energy: -56.347 tors. eta vs tors. theta energy: -61.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -766.464473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.464473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.464473 (E_RNA) where: Base-Base interactions energy: -444.610 where: short stacking energy: -226.772 Base-Backbone interact. energy: 0.080 local terms energy: -321.934797 where: bonds (distance) C4'-P energy: -83.205 bonds (distance) P-C4' energy: -76.647 flat angles C4'-P-C4' energy: -81.845 flat angles P-C4'-P energy: -42.807 tors. eta vs tors. theta energy: -37.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -601.807239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.807239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.807239 (E_RNA) where: Base-Base interactions energy: -322.875 where: short stacking energy: -178.366 Base-Backbone interact. energy: -1.767 local terms energy: -277.164584 where: bonds (distance) C4'-P energy: -68.700 bonds (distance) P-C4' energy: -98.550 flat angles C4'-P-C4' energy: -69.459 flat angles P-C4'-P energy: -25.397 tors. eta vs tors. theta energy: -15.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -464.927140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.927140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.927140 (E_RNA) where: Base-Base interactions energy: -212.674 where: short stacking energy: -119.971 Base-Backbone interact. energy: 7.143 local terms energy: -259.395891 where: bonds (distance) C4'-P energy: -83.337 bonds (distance) P-C4' energy: -77.772 flat angles C4'-P-C4' energy: -57.158 flat angles P-C4'-P energy: -52.729 tors. eta vs tors. theta energy: 11.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1711.904373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.904373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.904373 (E_RNA) where: Base-Base interactions energy: -1170.772 where: short stacking energy: -509.278 Base-Backbone interact. energy: -1.823 local terms energy: -539.309476 where: bonds (distance) C4'-P energy: -92.666 bonds (distance) P-C4' energy: -94.966 flat angles C4'-P-C4' energy: -101.515 flat angles P-C4'-P energy: -87.244 tors. eta vs tors. theta energy: -162.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1607.868934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.868934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.868934 (E_RNA) where: Base-Base interactions energy: -1072.919 where: short stacking energy: -468.618 Base-Backbone interact. energy: -2.413 local terms energy: -532.537525 where: bonds (distance) C4'-P energy: -100.321 bonds (distance) P-C4' energy: -98.443 flat angles C4'-P-C4' energy: -107.477 flat angles P-C4'-P energy: -77.725 tors. eta vs tors. theta energy: -148.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1528.827931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.827931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.827931 (E_RNA) where: Base-Base interactions energy: -1053.785 where: short stacking energy: -444.518 Base-Backbone interact. energy: -2.526 local terms energy: -472.517266 where: bonds (distance) C4'-P energy: -92.220 bonds (distance) P-C4' energy: -83.598 flat angles C4'-P-C4' energy: -98.853 flat angles P-C4'-P energy: -65.787 tors. eta vs tors. theta energy: -132.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1555.284070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.284070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.284070 (E_RNA) where: Base-Base interactions energy: -1061.201 where: short stacking energy: -447.951 Base-Backbone interact. energy: -1.008 local terms energy: -493.074549 where: bonds (distance) C4'-P energy: -81.254 bonds (distance) P-C4' energy: -93.107 flat angles C4'-P-C4' energy: -102.852 flat angles P-C4'-P energy: -66.626 tors. eta vs tors. theta energy: -149.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1458.892991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.892991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.892991 (E_RNA) where: Base-Base interactions energy: -1021.008 where: short stacking energy: -425.686 Base-Backbone interact. energy: 4.235 local terms energy: -442.120387 where: bonds (distance) C4'-P energy: -68.073 bonds (distance) P-C4' energy: -87.812 flat angles C4'-P-C4' energy: -98.385 flat angles P-C4'-P energy: -57.892 tors. eta vs tors. theta energy: -129.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1208.681126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.681126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.681126 (E_RNA) where: Base-Base interactions energy: -774.862 where: short stacking energy: -353.375 Base-Backbone interact. energy: -2.962 local terms energy: -430.856949 where: bonds (distance) C4'-P energy: -89.980 bonds (distance) P-C4' energy: -83.790 flat angles C4'-P-C4' energy: -90.042 flat angles P-C4'-P energy: -71.579 tors. eta vs tors. theta energy: -95.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -977.737717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.737717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.737717 (E_RNA) where: Base-Base interactions energy: -615.930 where: short stacking energy: -297.129 Base-Backbone interact. energy: -3.081 local terms energy: -358.727005 where: bonds (distance) C4'-P energy: -83.459 bonds (distance) P-C4' energy: -74.827 flat angles C4'-P-C4' energy: -79.157 flat angles P-C4'-P energy: -55.329 tors. eta vs tors. theta energy: -65.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -791.770534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.770534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.770534 (E_RNA) where: Base-Base interactions energy: -464.181 where: short stacking energy: -275.826 Base-Backbone interact. energy: -1.095 local terms energy: -326.494748 where: bonds (distance) C4'-P energy: -71.843 bonds (distance) P-C4' energy: -77.955 flat angles C4'-P-C4' energy: -78.901 flat angles P-C4'-P energy: -49.118 tors. eta vs tors. theta energy: -48.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -572.708101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.708101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.708101 (E_RNA) where: Base-Base interactions energy: -306.415 where: short stacking energy: -163.257 Base-Backbone interact. energy: -1.391 local terms energy: -264.902118 where: bonds (distance) C4'-P energy: -69.050 bonds (distance) P-C4' energy: -85.486 flat angles C4'-P-C4' energy: -65.443 flat angles P-C4'-P energy: -44.195 tors. eta vs tors. theta energy: -0.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -489.745397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.745397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.745397 (E_RNA) where: Base-Base interactions energy: -240.412 where: short stacking energy: -130.257 Base-Backbone interact. energy: -3.818 local terms energy: -245.515345 where: bonds (distance) C4'-P energy: -64.352 bonds (distance) P-C4' energy: -82.076 flat angles C4'-P-C4' energy: -67.576 flat angles P-C4'-P energy: -26.695 tors. eta vs tors. theta energy: -4.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1705.828335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.828335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.828335 (E_RNA) where: Base-Base interactions energy: -1173.801 where: short stacking energy: -512.592 Base-Backbone interact. energy: -2.665 local terms energy: -529.362529 where: bonds (distance) C4'-P energy: -95.221 bonds (distance) P-C4' energy: -93.551 flat angles C4'-P-C4' energy: -101.387 flat angles P-C4'-P energy: -77.235 tors. eta vs tors. theta energy: -161.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1625.492066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.492066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.492066 (E_RNA) where: Base-Base interactions energy: -1089.303 where: short stacking energy: -498.572 Base-Backbone interact. energy: -1.270 local terms energy: -534.919252 where: bonds (distance) C4'-P energy: -97.040 bonds (distance) P-C4' energy: -94.123 flat angles C4'-P-C4' energy: -109.219 flat angles P-C4'-P energy: -80.645 tors. eta vs tors. theta energy: -153.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1614.388951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.388951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.388951 (E_RNA) where: Base-Base interactions energy: -1105.124 where: short stacking energy: -480.398 Base-Backbone interact. energy: -1.574 local terms energy: -507.690974 where: bonds (distance) C4'-P energy: -95.414 bonds (distance) P-C4' energy: -92.834 flat angles C4'-P-C4' energy: -98.781 flat angles P-C4'-P energy: -74.192 tors. eta vs tors. theta energy: -146.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1497.946903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.946903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.946903 (E_RNA) where: Base-Base interactions energy: -1032.427 where: short stacking energy: -460.986 Base-Backbone interact. energy: -1.788 local terms energy: -463.731751 where: bonds (distance) C4'-P energy: -75.767 bonds (distance) P-C4' energy: -89.011 flat angles C4'-P-C4' energy: -107.004 flat angles P-C4'-P energy: -56.555 tors. eta vs tors. theta energy: -135.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1446.043209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.043209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.043209 (E_RNA) where: Base-Base interactions energy: -1003.354 where: short stacking energy: -432.499 Base-Backbone interact. energy: 2.685 local terms energy: -445.374000 where: bonds (distance) C4'-P energy: -73.730 bonds (distance) P-C4' energy: -85.203 flat angles C4'-P-C4' energy: -102.687 flat angles P-C4'-P energy: -63.575 tors. eta vs tors. theta energy: -120.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1213.045624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.045624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.045624 (E_RNA) where: Base-Base interactions energy: -807.268 where: short stacking energy: -385.730 Base-Backbone interact. energy: -0.084 local terms energy: -405.693584 where: bonds (distance) C4'-P energy: -86.371 bonds (distance) P-C4' energy: -61.895 flat angles C4'-P-C4' energy: -93.875 flat angles P-C4'-P energy: -62.724 tors. eta vs tors. theta energy: -100.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1013.463901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.463901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.463901 (E_RNA) where: Base-Base interactions energy: -664.904 where: short stacking energy: -308.187 Base-Backbone interact. energy: -1.631 local terms energy: -346.928742 where: bonds (distance) C4'-P energy: -78.047 bonds (distance) P-C4' energy: -74.009 flat angles C4'-P-C4' energy: -87.348 flat angles P-C4'-P energy: -48.250 tors. eta vs tors. theta energy: -59.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -764.277610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.277610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.277610 (E_RNA) where: Base-Base interactions energy: -434.494 where: short stacking energy: -235.451 Base-Backbone interact. energy: 1.104 local terms energy: -330.887855 where: bonds (distance) C4'-P energy: -86.675 bonds (distance) P-C4' energy: -78.606 flat angles C4'-P-C4' energy: -78.482 flat angles P-C4'-P energy: -37.131 tors. eta vs tors. theta energy: -49.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -598.144612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.144612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.144612 (E_RNA) where: Base-Base interactions energy: -304.852 where: short stacking energy: -162.449 Base-Backbone interact. energy: -0.130 local terms energy: -293.162989 where: bonds (distance) C4'-P energy: -60.853 bonds (distance) P-C4' energy: -81.721 flat angles C4'-P-C4' energy: -83.279 flat angles P-C4'-P energy: -36.333 tors. eta vs tors. theta energy: -30.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -509.553338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.553338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.553338 (E_RNA) where: Base-Base interactions energy: -241.162 where: short stacking energy: -119.264 Base-Backbone interact. energy: -4.312 local terms energy: -264.079588 where: bonds (distance) C4'-P energy: -77.174 bonds (distance) P-C4' energy: -92.230 flat angles C4'-P-C4' energy: -55.174 flat angles P-C4'-P energy: -42.545 tors. eta vs tors. theta energy: 3.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1717.023608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.023608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.023608 (E_RNA) where: Base-Base interactions energy: -1188.309 where: short stacking energy: -514.443 Base-Backbone interact. energy: -0.113 local terms energy: -528.601736 where: bonds (distance) C4'-P energy: -92.523 bonds (distance) P-C4' energy: -96.050 flat angles C4'-P-C4' energy: -110.405 flat angles P-C4'-P energy: -70.734 tors. eta vs tors. theta energy: -158.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1601.912545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.912545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.912545 (E_RNA) where: Base-Base interactions energy: -1072.217 where: short stacking energy: -487.804 Base-Backbone interact. energy: -1.762 local terms energy: -527.934064 where: bonds (distance) C4'-P energy: -90.980 bonds (distance) P-C4' energy: -86.753 flat angles C4'-P-C4' energy: -117.297 flat angles P-C4'-P energy: -79.592 tors. eta vs tors. theta energy: -153.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1557.958196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.958196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.958196 (E_RNA) where: Base-Base interactions energy: -1078.090 where: short stacking energy: -457.913 Base-Backbone interact. energy: 1.556 local terms energy: -481.423872 where: bonds (distance) C4'-P energy: -80.190 bonds (distance) P-C4' energy: -96.925 flat angles C4'-P-C4' energy: -105.251 flat angles P-C4'-P energy: -63.652 tors. eta vs tors. theta energy: -135.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1544.154024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.154024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.154024 (E_RNA) where: Base-Base interactions energy: -1065.634 where: short stacking energy: -459.506 Base-Backbone interact. energy: 0.614 local terms energy: -479.134179 where: bonds (distance) C4'-P energy: -78.658 bonds (distance) P-C4' energy: -92.761 flat angles C4'-P-C4' energy: -108.579 flat angles P-C4'-P energy: -58.197 tors. eta vs tors. theta energy: -140.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1431.392491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.392491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.392491 (E_RNA) where: Base-Base interactions energy: -1009.214 where: short stacking energy: -438.865 Base-Backbone interact. energy: 1.170 local terms energy: -423.348319 where: bonds (distance) C4'-P energy: -75.899 bonds (distance) P-C4' energy: -73.677 flat angles C4'-P-C4' energy: -90.839 flat angles P-C4'-P energy: -61.805 tors. eta vs tors. theta energy: -121.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -1223.230352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.230352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.230352 (E_RNA) where: Base-Base interactions energy: -806.136 where: short stacking energy: -374.361 Base-Backbone interact. energy: -1.887 local terms energy: -415.206735 where: bonds (distance) C4'-P energy: -79.711 bonds (distance) P-C4' energy: -75.368 flat angles C4'-P-C4' energy: -92.055 flat angles P-C4'-P energy: -64.334 tors. eta vs tors. theta energy: -103.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1001.335943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.335943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.335943 (E_RNA) where: Base-Base interactions energy: -639.044 where: short stacking energy: -305.461 Base-Backbone interact. energy: -3.633 local terms energy: -358.658576 where: bonds (distance) C4'-P energy: -87.312 bonds (distance) P-C4' energy: -79.290 flat angles C4'-P-C4' energy: -89.285 flat angles P-C4'-P energy: -42.030 tors. eta vs tors. theta energy: -60.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -787.905448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.905448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.905448 (E_RNA) where: Base-Base interactions energy: -460.466 where: short stacking energy: -222.468 Base-Backbone interact. energy: -1.405 local terms energy: -326.034470 where: bonds (distance) C4'-P energy: -81.643 bonds (distance) P-C4' energy: -72.640 flat angles C4'-P-C4' energy: -80.127 flat angles P-C4'-P energy: -59.145 tors. eta vs tors. theta energy: -32.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -550.943654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.943654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.943654 (E_RNA) where: Base-Base interactions energy: -283.988 where: short stacking energy: -185.119 Base-Backbone interact. energy: 1.790 local terms energy: -268.746223 where: bonds (distance) C4'-P energy: -72.983 bonds (distance) P-C4' energy: -71.098 flat angles C4'-P-C4' energy: -61.858 flat angles P-C4'-P energy: -47.884 tors. eta vs tors. theta energy: -14.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -537.914206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.914206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.914206 (E_RNA) where: Base-Base interactions energy: -269.106 where: short stacking energy: -162.750 Base-Backbone interact. energy: -2.003 local terms energy: -266.804796 where: bonds (distance) C4'-P energy: -67.690 bonds (distance) P-C4' energy: -85.224 flat angles C4'-P-C4' energy: -70.175 flat angles P-C4'-P energy: -32.139 tors. eta vs tors. theta energy: -11.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1712.809098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.809098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.809098 (E_RNA) where: Base-Base interactions energy: -1178.646 where: short stacking energy: -510.093 Base-Backbone interact. energy: -1.809 local terms energy: -532.354710 where: bonds (distance) C4'-P energy: -104.421 bonds (distance) P-C4' energy: -87.695 flat angles C4'-P-C4' energy: -106.939 flat angles P-C4'-P energy: -73.920 tors. eta vs tors. theta energy: -159.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1589.956424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.956424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.956424 (E_RNA) where: Base-Base interactions energy: -1076.673 where: short stacking energy: -500.047 Base-Backbone interact. energy: -2.539 local terms energy: -510.744084 where: bonds (distance) C4'-P energy: -92.740 bonds (distance) P-C4' energy: -90.270 flat angles C4'-P-C4' energy: -104.881 flat angles P-C4'-P energy: -67.179 tors. eta vs tors. theta energy: -155.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1553.439239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.439239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.439239 (E_RNA) where: Base-Base interactions energy: -1075.686 where: short stacking energy: -453.020 Base-Backbone interact. energy: 0.989 local terms energy: -478.741443 where: bonds (distance) C4'-P energy: -97.081 bonds (distance) P-C4' energy: -82.355 flat angles C4'-P-C4' energy: -92.386 flat angles P-C4'-P energy: -69.474 tors. eta vs tors. theta energy: -137.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1496.921549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.921549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.921549 (E_RNA) where: Base-Base interactions energy: -1023.363 where: short stacking energy: -451.885 Base-Backbone interact. energy: -1.531 local terms energy: -472.027040 where: bonds (distance) C4'-P energy: -76.574 bonds (distance) P-C4' energy: -95.155 flat angles C4'-P-C4' energy: -97.498 flat angles P-C4'-P energy: -68.822 tors. eta vs tors. theta energy: -133.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1443.582083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.582083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.582083 (E_RNA) where: Base-Base interactions energy: -982.684 where: short stacking energy: -420.712 Base-Backbone interact. energy: -1.534 local terms energy: -459.364717 where: bonds (distance) C4'-P energy: -79.709 bonds (distance) P-C4' energy: -89.688 flat angles C4'-P-C4' energy: -95.014 flat angles P-C4'-P energy: -72.297 tors. eta vs tors. theta energy: -122.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1209.448469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.448469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.448469 (E_RNA) where: Base-Base interactions energy: -792.024 where: short stacking energy: -362.450 Base-Backbone interact. energy: 1.481 local terms energy: -418.904608 where: bonds (distance) C4'-P energy: -78.649 bonds (distance) P-C4' energy: -79.900 flat angles C4'-P-C4' energy: -98.400 flat angles P-C4'-P energy: -64.638 tors. eta vs tors. theta energy: -97.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -992.731608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.731608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.731608 (E_RNA) where: Base-Base interactions energy: -629.490 where: short stacking energy: -290.551 Base-Backbone interact. energy: -2.189 local terms energy: -361.053155 where: bonds (distance) C4'-P energy: -68.252 bonds (distance) P-C4' energy: -86.427 flat angles C4'-P-C4' energy: -86.433 flat angles P-C4'-P energy: -57.934 tors. eta vs tors. theta energy: -62.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -776.987234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.987234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.987234 (E_RNA) where: Base-Base interactions energy: -442.411 where: short stacking energy: -236.004 Base-Backbone interact. energy: -1.361 local terms energy: -333.215060 where: bonds (distance) C4'-P energy: -76.797 bonds (distance) P-C4' energy: -99.227 flat angles C4'-P-C4' energy: -75.914 flat angles P-C4'-P energy: -38.365 tors. eta vs tors. theta energy: -42.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -536.552512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.552512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.552512 (E_RNA) where: Base-Base interactions energy: -268.492 where: short stacking energy: -169.509 Base-Backbone interact. energy: 0.387 local terms energy: -268.448092 where: bonds (distance) C4'-P energy: -79.570 bonds (distance) P-C4' energy: -71.378 flat angles C4'-P-C4' energy: -56.788 flat angles P-C4'-P energy: -42.674 tors. eta vs tors. theta energy: -18.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -396.564538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.564538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.564538 (E_RNA) where: Base-Base interactions energy: -162.331 where: short stacking energy: -111.581 Base-Backbone interact. energy: -2.619 local terms energy: -231.614221 where: bonds (distance) C4'-P energy: -88.463 bonds (distance) P-C4' energy: -75.827 flat angles C4'-P-C4' energy: -56.597 flat angles P-C4'-P energy: -27.626 tors. eta vs tors. theta energy: 16.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1708.234316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.234316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.234316 (E_RNA) where: Base-Base interactions energy: -1175.688 where: short stacking energy: -510.754 Base-Backbone interact. energy: 1.022 local terms energy: -533.568483 where: bonds (distance) C4'-P energy: -100.029 bonds (distance) P-C4' energy: -93.168 flat angles C4'-P-C4' energy: -101.520 flat angles P-C4'-P energy: -76.607 tors. eta vs tors. theta energy: -162.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1611.251570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.251570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.251570 (E_RNA) where: Base-Base interactions energy: -1083.207 where: short stacking energy: -503.626 Base-Backbone interact. energy: -1.275 local terms energy: -526.769408 where: bonds (distance) C4'-P energy: -96.357 bonds (distance) P-C4' energy: -94.044 flat angles C4'-P-C4' energy: -107.897 flat angles P-C4'-P energy: -69.090 tors. eta vs tors. theta energy: -159.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1571.312033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.312033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.312033 (E_RNA) where: Base-Base interactions energy: -1064.059 where: short stacking energy: -483.974 Base-Backbone interact. energy: -2.459 local terms energy: -504.794100 where: bonds (distance) C4'-P energy: -83.846 bonds (distance) P-C4' energy: -92.371 flat angles C4'-P-C4' energy: -106.408 flat angles P-C4'-P energy: -79.308 tors. eta vs tors. theta energy: -142.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1484.613132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.613132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.613132 (E_RNA) where: Base-Base interactions energy: -998.133 where: short stacking energy: -434.666 Base-Backbone interact. energy: -1.262 local terms energy: -485.218651 where: bonds (distance) C4'-P energy: -94.117 bonds (distance) P-C4' energy: -83.073 flat angles C4'-P-C4' energy: -97.847 flat angles P-C4'-P energy: -78.069 tors. eta vs tors. theta energy: -132.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1432.365549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.365549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.365549 (E_RNA) where: Base-Base interactions energy: -1009.009 where: short stacking energy: -419.340 Base-Backbone interact. energy: -0.864 local terms energy: -422.492642 where: bonds (distance) C4'-P energy: -73.888 bonds (distance) P-C4' energy: -80.737 flat angles C4'-P-C4' energy: -96.700 flat angles P-C4'-P energy: -67.297 tors. eta vs tors. theta energy: -103.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1184.323297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.323297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.323297 (E_RNA) where: Base-Base interactions energy: -751.320 where: short stacking energy: -331.994 Base-Backbone interact. energy: 0.819 local terms energy: -433.821672 where: bonds (distance) C4'-P energy: -81.131 bonds (distance) P-C4' energy: -97.539 flat angles C4'-P-C4' energy: -102.597 flat angles P-C4'-P energy: -57.827 tors. eta vs tors. theta energy: -94.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -1014.255724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.255724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.255724 (E_RNA) where: Base-Base interactions energy: -623.693 where: short stacking energy: -296.115 Base-Backbone interact. energy: -0.264 local terms energy: -390.298197 where: bonds (distance) C4'-P energy: -93.432 bonds (distance) P-C4' energy: -73.844 flat angles C4'-P-C4' energy: -83.669 flat angles P-C4'-P energy: -63.621 tors. eta vs tors. theta energy: -75.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -770.010571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.010571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.010571 (E_RNA) where: Base-Base interactions energy: -442.800 where: short stacking energy: -207.899 Base-Backbone interact. energy: 5.827 local terms energy: -333.037740 where: bonds (distance) C4'-P energy: -93.712 bonds (distance) P-C4' energy: -86.295 flat angles C4'-P-C4' energy: -75.046 flat angles P-C4'-P energy: -42.684 tors. eta vs tors. theta energy: -35.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -478.405309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.405309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.405309 (E_RNA) where: Base-Base interactions energy: -232.764 where: short stacking energy: -153.046 Base-Backbone interact. energy: -1.349 local terms energy: -244.292589 where: bonds (distance) C4'-P energy: -63.905 bonds (distance) P-C4' energy: -84.643 flat angles C4'-P-C4' energy: -67.665 flat angles P-C4'-P energy: -27.654 tors. eta vs tors. theta energy: -0.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -399.562480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.562480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.562480 (E_RNA) where: Base-Base interactions energy: -159.135 where: short stacking energy: -127.148 Base-Backbone interact. energy: 0.525 local terms energy: -240.952520 where: bonds (distance) C4'-P energy: -62.618 bonds (distance) P-C4' energy: -80.533 flat angles C4'-P-C4' energy: -70.465 flat angles P-C4'-P energy: -29.553 tors. eta vs tors. theta energy: 2.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1708.861565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.861565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.861565 (E_RNA) where: Base-Base interactions energy: -1175.332 where: short stacking energy: -511.816 Base-Backbone interact. energy: -0.999 local terms energy: -532.530599 where: bonds (distance) C4'-P energy: -85.484 bonds (distance) P-C4' energy: -96.331 flat angles C4'-P-C4' energy: -103.095 flat angles P-C4'-P energy: -77.686 tors. eta vs tors. theta energy: -169.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1609.824356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.824356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.824356 (E_RNA) where: Base-Base interactions energy: -1073.320 where: short stacking energy: -495.772 Base-Backbone interact. energy: -1.881 local terms energy: -534.623269 where: bonds (distance) C4'-P energy: -95.514 bonds (distance) P-C4' energy: -95.196 flat angles C4'-P-C4' energy: -106.638 flat angles P-C4'-P energy: -79.261 tors. eta vs tors. theta energy: -158.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1582.684593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.684593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.684593 (E_RNA) where: Base-Base interactions energy: -1090.436 where: short stacking energy: -483.358 Base-Backbone interact. energy: -0.024 local terms energy: -492.224290 where: bonds (distance) C4'-P energy: -84.578 bonds (distance) P-C4' energy: -92.127 flat angles C4'-P-C4' energy: -102.285 flat angles P-C4'-P energy: -65.868 tors. eta vs tors. theta energy: -147.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1518.724086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.724086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.724086 (E_RNA) where: Base-Base interactions energy: -1053.464 where: short stacking energy: -446.956 Base-Backbone interact. energy: -0.772 local terms energy: -464.487949 where: bonds (distance) C4'-P energy: -75.645 bonds (distance) P-C4' energy: -93.346 flat angles C4'-P-C4' energy: -94.528 flat angles P-C4'-P energy: -64.464 tors. eta vs tors. theta energy: -136.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1426.884812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.884812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.884812 (E_RNA) where: Base-Base interactions energy: -1000.553 where: short stacking energy: -423.864 Base-Backbone interact. energy: 0.228 local terms energy: -426.559895 where: bonds (distance) C4'-P energy: -85.846 bonds (distance) P-C4' energy: -73.035 flat angles C4'-P-C4' energy: -81.925 flat angles P-C4'-P energy: -66.671 tors. eta vs tors. theta energy: -119.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1219.188429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.188429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.188429 (E_RNA) where: Base-Base interactions energy: -815.868 where: short stacking energy: -383.666 Base-Backbone interact. energy: 2.764 local terms energy: -406.084262 where: bonds (distance) C4'-P energy: -64.009 bonds (distance) P-C4' energy: -76.180 flat angles C4'-P-C4' energy: -93.034 flat angles P-C4'-P energy: -66.645 tors. eta vs tors. theta energy: -106.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -996.000961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.000961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.000961 (E_RNA) where: Base-Base interactions energy: -618.170 where: short stacking energy: -306.291 Base-Backbone interact. energy: -3.664 local terms energy: -374.167267 where: bonds (distance) C4'-P energy: -76.625 bonds (distance) P-C4' energy: -91.191 flat angles C4'-P-C4' energy: -80.752 flat angles P-C4'-P energy: -54.193 tors. eta vs tors. theta energy: -71.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -798.538665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.538665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.538665 (E_RNA) where: Base-Base interactions energy: -485.623 where: short stacking energy: -250.077 Base-Backbone interact. energy: 4.493 local terms energy: -317.408949 where: bonds (distance) C4'-P energy: -77.208 bonds (distance) P-C4' energy: -68.545 flat angles C4'-P-C4' energy: -76.909 flat angles P-C4'-P energy: -50.725 tors. eta vs tors. theta energy: -44.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -565.672469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.672469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.672469 (E_RNA) where: Base-Base interactions energy: -268.464 where: short stacking energy: -157.341 Base-Backbone interact. energy: -0.176 local terms energy: -297.033038 where: bonds (distance) C4'-P energy: -73.426 bonds (distance) P-C4' energy: -85.834 flat angles C4'-P-C4' energy: -77.772 flat angles P-C4'-P energy: -58.229 tors. eta vs tors. theta energy: -1.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -392.736478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.736478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.736478 (E_RNA) where: Base-Base interactions energy: -141.133 where: short stacking energy: -114.008 Base-Backbone interact. energy: -1.218 local terms energy: -250.385605 where: bonds (distance) C4'-P energy: -79.738 bonds (distance) P-C4' energy: -74.209 flat angles C4'-P-C4' energy: -71.528 flat angles P-C4'-P energy: -37.820 tors. eta vs tors. theta energy: 12.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1711.909107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.909107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.909107 (E_RNA) where: Base-Base interactions energy: -1168.498 where: short stacking energy: -500.296 Base-Backbone interact. energy: 2.670 local terms energy: -546.081571 where: bonds (distance) C4'-P energy: -87.770 bonds (distance) P-C4' energy: -109.311 flat angles C4'-P-C4' energy: -104.142 flat angles P-C4'-P energy: -73.579 tors. eta vs tors. theta energy: -171.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1614.015610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.015610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.015610 (E_RNA) where: Base-Base interactions energy: -1090.385 where: short stacking energy: -497.871 Base-Backbone interact. energy: 1.943 local terms energy: -525.572980 where: bonds (distance) C4'-P energy: -97.851 bonds (distance) P-C4' energy: -90.954 flat angles C4'-P-C4' energy: -107.965 flat angles P-C4'-P energy: -78.716 tors. eta vs tors. theta energy: -150.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1576.415037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.415037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.415037 (E_RNA) where: Base-Base interactions energy: -1081.808 where: short stacking energy: -472.448 Base-Backbone interact. energy: -1.338 local terms energy: -493.269724 where: bonds (distance) C4'-P energy: -80.775 bonds (distance) P-C4' energy: -87.117 flat angles C4'-P-C4' energy: -109.504 flat angles P-C4'-P energy: -68.917 tors. eta vs tors. theta energy: -146.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1522.831958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.831958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.831958 (E_RNA) where: Base-Base interactions energy: -1051.219 where: short stacking energy: -462.411 Base-Backbone interact. energy: -1.567 local terms energy: -470.045787 where: bonds (distance) C4'-P energy: -82.516 bonds (distance) P-C4' energy: -91.682 flat angles C4'-P-C4' energy: -99.455 flat angles P-C4'-P energy: -67.956 tors. eta vs tors. theta energy: -128.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1469.341323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.341323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.341323 (E_RNA) where: Base-Base interactions energy: -1030.488 where: short stacking energy: -440.345 Base-Backbone interact. energy: 2.748 local terms energy: -441.601796 where: bonds (distance) C4'-P energy: -85.000 bonds (distance) P-C4' energy: -78.932 flat angles C4'-P-C4' energy: -93.339 flat angles P-C4'-P energy: -63.897 tors. eta vs tors. theta energy: -120.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -1218.381478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.381478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.381478 (E_RNA) where: Base-Base interactions energy: -800.438 where: short stacking energy: -365.496 Base-Backbone interact. energy: -2.248 local terms energy: -415.696203 where: bonds (distance) C4'-P energy: -84.113 bonds (distance) P-C4' energy: -83.384 flat angles C4'-P-C4' energy: -94.062 flat angles P-C4'-P energy: -57.941 tors. eta vs tors. theta energy: -96.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -977.998158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.998158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.998158 (E_RNA) where: Base-Base interactions energy: -643.628 where: short stacking energy: -307.089 Base-Backbone interact. energy: -0.627 local terms energy: -333.743043 where: bonds (distance) C4'-P energy: -91.738 bonds (distance) P-C4' energy: -65.472 flat angles C4'-P-C4' energy: -80.817 flat angles P-C4'-P energy: -42.530 tors. eta vs tors. theta energy: -53.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -734.372544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.372544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.372544 (E_RNA) where: Base-Base interactions energy: -415.488 where: short stacking energy: -191.409 Base-Backbone interact. energy: -0.207 local terms energy: -318.678198 where: bonds (distance) C4'-P energy: -84.717 bonds (distance) P-C4' energy: -88.559 flat angles C4'-P-C4' energy: -75.139 flat angles P-C4'-P energy: -47.948 tors. eta vs tors. theta energy: -22.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -559.788494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.788494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.788494 (E_RNA) where: Base-Base interactions energy: -264.822 where: short stacking energy: -165.340 Base-Backbone interact. energy: 0.133 local terms energy: -295.099412 where: bonds (distance) C4'-P energy: -75.435 bonds (distance) P-C4' energy: -83.291 flat angles C4'-P-C4' energy: -70.502 flat angles P-C4'-P energy: -43.706 tors. eta vs tors. theta energy: -22.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -383.376322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.376322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.376322 (E_RNA) where: Base-Base interactions energy: -152.284 where: short stacking energy: -114.419 Base-Backbone interact. energy: 0.957 local terms energy: -232.049925 where: bonds (distance) C4'-P energy: -66.194 bonds (distance) P-C4' energy: -79.770 flat angles C4'-P-C4' energy: -74.579 flat angles P-C4'-P energy: -26.957 tors. eta vs tors. theta energy: 15.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1706.501964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.501964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.501964 (E_RNA) where: Base-Base interactions energy: -1163.118 where: short stacking energy: -514.795 Base-Backbone interact. energy: -1.103 local terms energy: -542.280711 where: bonds (distance) C4'-P energy: -101.894 bonds (distance) P-C4' energy: -90.890 flat angles C4'-P-C4' energy: -116.142 flat angles P-C4'-P energy: -72.093 tors. eta vs tors. theta energy: -161.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1609.803498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.803498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.803498 (E_RNA) where: Base-Base interactions energy: -1084.866 where: short stacking energy: -519.543 Base-Backbone interact. energy: -1.616 local terms energy: -523.320731 where: bonds (distance) C4'-P energy: -91.058 bonds (distance) P-C4' energy: -94.173 flat angles C4'-P-C4' energy: -106.819 flat angles P-C4'-P energy: -67.306 tors. eta vs tors. theta energy: -163.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1584.623904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.623904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.623904 (E_RNA) where: Base-Base interactions energy: -1075.941 where: short stacking energy: -476.606 Base-Backbone interact. energy: -2.081 local terms energy: -506.602137 where: bonds (distance) C4'-P energy: -97.879 bonds (distance) P-C4' energy: -99.266 flat angles C4'-P-C4' energy: -102.978 flat angles P-C4'-P energy: -70.557 tors. eta vs tors. theta energy: -135.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1548.124317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.124317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.124317 (E_RNA) where: Base-Base interactions energy: -1047.119 where: short stacking energy: -453.189 Base-Backbone interact. energy: -2.344 local terms energy: -498.661147 where: bonds (distance) C4'-P energy: -86.489 bonds (distance) P-C4' energy: -89.971 flat angles C4'-P-C4' energy: -107.896 flat angles P-C4'-P energy: -72.375 tors. eta vs tors. theta energy: -141.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1391.448838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.448838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.448838 (E_RNA) where: Base-Base interactions energy: -970.298 where: short stacking energy: -425.139 Base-Backbone interact. energy: -2.114 local terms energy: -419.035934 where: bonds (distance) C4'-P energy: -80.730 bonds (distance) P-C4' energy: -79.416 flat angles C4'-P-C4' energy: -82.903 flat angles P-C4'-P energy: -59.005 tors. eta vs tors. theta energy: -116.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1202.260974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.260974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.260974 (E_RNA) where: Base-Base interactions energy: -804.478 where: short stacking energy: -360.010 Base-Backbone interact. energy: 1.175 local terms energy: -398.957176 where: bonds (distance) C4'-P energy: -72.259 bonds (distance) P-C4' energy: -66.770 flat angles C4'-P-C4' energy: -99.225 flat angles P-C4'-P energy: -57.050 tors. eta vs tors. theta energy: -103.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -999.386090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.386090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.386090 (E_RNA) where: Base-Base interactions energy: -613.785 where: short stacking energy: -284.600 Base-Backbone interact. energy: -1.092 local terms energy: -384.508958 where: bonds (distance) C4'-P energy: -82.016 bonds (distance) P-C4' energy: -83.333 flat angles C4'-P-C4' energy: -81.657 flat angles P-C4'-P energy: -64.996 tors. eta vs tors. theta energy: -72.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -697.025893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.025893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.025893 (E_RNA) where: Base-Base interactions energy: -392.199 where: short stacking energy: -223.681 Base-Backbone interact. energy: -3.294 local terms energy: -301.533477 where: bonds (distance) C4'-P energy: -87.370 bonds (distance) P-C4' energy: -70.634 flat angles C4'-P-C4' energy: -72.200 flat angles P-C4'-P energy: -47.058 tors. eta vs tors. theta energy: -24.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -578.282164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.282164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.282164 (E_RNA) where: Base-Base interactions energy: -310.887 where: short stacking energy: -190.675 Base-Backbone interact. energy: -0.191 local terms energy: -267.204566 where: bonds (distance) C4'-P energy: -58.177 bonds (distance) P-C4' energy: -77.245 flat angles C4'-P-C4' energy: -58.305 flat angles P-C4'-P energy: -48.893 tors. eta vs tors. theta energy: -24.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -373.403630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.403630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.403630 (E_RNA) where: Base-Base interactions energy: -121.069 where: short stacking energy: -86.078 Base-Backbone interact. energy: -2.266 local terms energy: -250.068552 where: bonds (distance) C4'-P energy: -80.368 bonds (distance) P-C4' energy: -85.406 flat angles C4'-P-C4' energy: -65.482 flat angles P-C4'-P energy: -37.777 tors. eta vs tors. theta energy: 18.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1735.335917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.335917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.335917 (E_RNA) where: Base-Base interactions energy: -1179.503 where: short stacking energy: -507.350 Base-Backbone interact. energy: -2.237 local terms energy: -553.595830 where: bonds (distance) C4'-P energy: -93.904 bonds (distance) P-C4' energy: -108.713 flat angles C4'-P-C4' energy: -110.880 flat angles P-C4'-P energy: -67.627 tors. eta vs tors. theta energy: -172.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1611.471574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.471574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.471574 (E_RNA) where: Base-Base interactions energy: -1088.248 where: short stacking energy: -507.786 Base-Backbone interact. energy: 2.175 local terms energy: -525.398833 where: bonds (distance) C4'-P energy: -93.370 bonds (distance) P-C4' energy: -91.952 flat angles C4'-P-C4' energy: -108.893 flat angles P-C4'-P energy: -75.022 tors. eta vs tors. theta energy: -156.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1581.420957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.420957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.420957 (E_RNA) where: Base-Base interactions energy: -1066.516 where: short stacking energy: -461.329 Base-Backbone interact. energy: -2.667 local terms energy: -512.237327 where: bonds (distance) C4'-P energy: -92.860 bonds (distance) P-C4' energy: -88.338 flat angles C4'-P-C4' energy: -108.221 flat angles P-C4'-P energy: -74.110 tors. eta vs tors. theta energy: -148.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1537.039442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.039442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.039442 (E_RNA) where: Base-Base interactions energy: -1060.427 where: short stacking energy: -458.633 Base-Backbone interact. energy: -1.163 local terms energy: -475.449139 where: bonds (distance) C4'-P energy: -87.991 bonds (distance) P-C4' energy: -86.382 flat angles C4'-P-C4' energy: -89.732 flat angles P-C4'-P energy: -66.785 tors. eta vs tors. theta energy: -144.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1424.717521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.717521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.717521 (E_RNA) where: Base-Base interactions energy: -994.560 where: short stacking energy: -417.669 Base-Backbone interact. energy: 2.389 local terms energy: -432.546913 where: bonds (distance) C4'-P energy: -82.461 bonds (distance) P-C4' energy: -74.184 flat angles C4'-P-C4' energy: -93.375 flat angles P-C4'-P energy: -60.827 tors. eta vs tors. theta energy: -121.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1196.837225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.837225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.837225 (E_RNA) where: Base-Base interactions energy: -779.795 where: short stacking energy: -353.021 Base-Backbone interact. energy: -0.218 local terms energy: -416.824225 where: bonds (distance) C4'-P energy: -78.767 bonds (distance) P-C4' energy: -80.905 flat angles C4'-P-C4' energy: -101.652 flat angles P-C4'-P energy: -63.273 tors. eta vs tors. theta energy: -92.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -998.949115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.949115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.949115 (E_RNA) where: Base-Base interactions energy: -643.098 where: short stacking energy: -280.780 Base-Backbone interact. energy: -1.029 local terms energy: -354.822232 where: bonds (distance) C4'-P energy: -79.566 bonds (distance) P-C4' energy: -85.880 flat angles C4'-P-C4' energy: -84.393 flat angles P-C4'-P energy: -50.235 tors. eta vs tors. theta energy: -54.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -709.687778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.687778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.687778 (E_RNA) where: Base-Base interactions energy: -420.130 where: short stacking energy: -233.230 Base-Backbone interact. energy: -1.150 local terms energy: -288.407374 where: bonds (distance) C4'-P energy: -73.476 bonds (distance) P-C4' energy: -77.880 flat angles C4'-P-C4' energy: -62.458 flat angles P-C4'-P energy: -41.851 tors. eta vs tors. theta energy: -32.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -611.423098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.423098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.423098 (E_RNA) where: Base-Base interactions energy: -338.353 where: short stacking energy: -180.889 Base-Backbone interact. energy: -2.753 local terms energy: -270.317257 where: bonds (distance) C4'-P energy: -69.470 bonds (distance) P-C4' energy: -93.052 flat angles C4'-P-C4' energy: -70.731 flat angles P-C4'-P energy: -42.070 tors. eta vs tors. theta energy: 5.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -370.839284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.839284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.839284 (E_RNA) where: Base-Base interactions energy: -122.364 where: short stacking energy: -103.900 Base-Backbone interact. energy: 1.173 local terms energy: -249.648211 where: bonds (distance) C4'-P energy: -76.728 bonds (distance) P-C4' energy: -90.024 flat angles C4'-P-C4' energy: -58.636 flat angles P-C4'-P energy: -42.519 tors. eta vs tors. theta energy: 18.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1723.720136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.720136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.720136 (E_RNA) where: Base-Base interactions energy: -1183.369 where: short stacking energy: -518.810 Base-Backbone interact. energy: -0.620 local terms energy: -539.731131 where: bonds (distance) C4'-P energy: -100.439 bonds (distance) P-C4' energy: -94.342 flat angles C4'-P-C4' energy: -112.851 flat angles P-C4'-P energy: -66.233 tors. eta vs tors. theta energy: -165.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1587.079902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.079902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.079902 (E_RNA) where: Base-Base interactions energy: -1064.010 where: short stacking energy: -481.854 Base-Backbone interact. energy: -0.521 local terms energy: -522.549459 where: bonds (distance) C4'-P energy: -96.323 bonds (distance) P-C4' energy: -87.207 flat angles C4'-P-C4' energy: -101.833 flat angles P-C4'-P energy: -76.110 tors. eta vs tors. theta energy: -161.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1568.975293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.975293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.975293 (E_RNA) where: Base-Base interactions energy: -1058.168 where: short stacking energy: -478.744 Base-Backbone interact. energy: -2.052 local terms energy: -508.755316 where: bonds (distance) C4'-P energy: -98.599 bonds (distance) P-C4' energy: -95.002 flat angles C4'-P-C4' energy: -101.735 flat angles P-C4'-P energy: -68.426 tors. eta vs tors. theta energy: -144.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1548.242838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.242838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.242838 (E_RNA) where: Base-Base interactions energy: -1061.248 where: short stacking energy: -460.744 Base-Backbone interact. energy: 1.973 local terms energy: -488.967574 where: bonds (distance) C4'-P energy: -81.015 bonds (distance) P-C4' energy: -92.174 flat angles C4'-P-C4' energy: -107.388 flat angles P-C4'-P energy: -73.004 tors. eta vs tors. theta energy: -135.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1384.010446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.010446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.010446 (E_RNA) where: Base-Base interactions energy: -960.705 where: short stacking energy: -407.230 Base-Backbone interact. energy: -0.461 local terms energy: -422.844214 where: bonds (distance) C4'-P energy: -89.677 bonds (distance) P-C4' energy: -88.805 flat angles C4'-P-C4' energy: -85.615 flat angles P-C4'-P energy: -59.691 tors. eta vs tors. theta energy: -99.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1210.370339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.370339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.370339 (E_RNA) where: Base-Base interactions energy: -774.326 where: short stacking energy: -365.102 Base-Backbone interact. energy: -1.499 local terms energy: -434.545662 where: bonds (distance) C4'-P energy: -89.615 bonds (distance) P-C4' energy: -72.916 flat angles C4'-P-C4' energy: -93.887 flat angles P-C4'-P energy: -63.401 tors. eta vs tors. theta energy: -114.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -959.756322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.756322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.756322 (E_RNA) where: Base-Base interactions energy: -601.302 where: short stacking energy: -292.114 Base-Backbone interact. energy: 3.942 local terms energy: -362.397077 where: bonds (distance) C4'-P energy: -74.945 bonds (distance) P-C4' energy: -76.495 flat angles C4'-P-C4' energy: -84.719 flat angles P-C4'-P energy: -58.932 tors. eta vs tors. theta energy: -67.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -671.857427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.857427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.857427 (E_RNA) where: Base-Base interactions energy: -384.676 where: short stacking energy: -189.982 Base-Backbone interact. energy: -1.221 local terms energy: -285.960280 where: bonds (distance) C4'-P energy: -70.982 bonds (distance) P-C4' energy: -79.822 flat angles C4'-P-C4' energy: -84.556 flat angles P-C4'-P energy: -32.174 tors. eta vs tors. theta energy: -18.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -604.630705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.630705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.630705 (E_RNA) where: Base-Base interactions energy: -330.735 where: short stacking energy: -167.826 Base-Backbone interact. energy: -2.314 local terms energy: -271.581851 where: bonds (distance) C4'-P energy: -77.553 bonds (distance) P-C4' energy: -83.342 flat angles C4'-P-C4' energy: -57.129 flat angles P-C4'-P energy: -51.307 tors. eta vs tors. theta energy: -2.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -369.281113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.281113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.281113 (E_RNA) where: Base-Base interactions energy: -122.613 where: short stacking energy: -113.788 Base-Backbone interact. energy: -0.511 local terms energy: -246.156144 where: bonds (distance) C4'-P energy: -57.303 bonds (distance) P-C4' energy: -87.136 flat angles C4'-P-C4' energy: -82.276 flat angles P-C4'-P energy: -32.700 tors. eta vs tors. theta energy: 13.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1708.640852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.640852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.640852 (E_RNA) where: Base-Base interactions energy: -1170.754 where: short stacking energy: -508.025 Base-Backbone interact. energy: -0.888 local terms energy: -536.998826 where: bonds (distance) C4'-P energy: -93.653 bonds (distance) P-C4' energy: -90.794 flat angles C4'-P-C4' energy: -108.133 flat angles P-C4'-P energy: -81.146 tors. eta vs tors. theta energy: -163.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1606.388431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.388431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.388431 (E_RNA) where: Base-Base interactions energy: -1116.492 where: short stacking energy: -484.975 Base-Backbone interact. energy: 0.848 local terms energy: -490.744388 where: bonds (distance) C4'-P energy: -90.025 bonds (distance) P-C4' energy: -91.283 flat angles C4'-P-C4' energy: -105.459 flat angles P-C4'-P energy: -58.158 tors. eta vs tors. theta energy: -145.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1553.809197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.809197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.809197 (E_RNA) where: Base-Base interactions energy: -1040.662 where: short stacking energy: -493.658 Base-Backbone interact. energy: -0.505 local terms energy: -512.642085 where: bonds (distance) C4'-P energy: -87.258 bonds (distance) P-C4' energy: -92.800 flat angles C4'-P-C4' energy: -107.183 flat angles P-C4'-P energy: -69.228 tors. eta vs tors. theta energy: -156.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1521.109698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.109698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.109698 (E_RNA) where: Base-Base interactions energy: -1073.349 where: short stacking energy: -469.775 Base-Backbone interact. energy: -2.405 local terms energy: -445.355507 where: bonds (distance) C4'-P energy: -83.539 bonds (distance) P-C4' energy: -67.256 flat angles C4'-P-C4' energy: -93.127 flat angles P-C4'-P energy: -66.641 tors. eta vs tors. theta energy: -134.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1402.380123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.380123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.380123 (E_RNA) where: Base-Base interactions energy: -971.249 where: short stacking energy: -407.870 Base-Backbone interact. energy: 3.680 local terms energy: -434.811405 where: bonds (distance) C4'-P energy: -78.162 bonds (distance) P-C4' energy: -90.641 flat angles C4'-P-C4' energy: -102.355 flat angles P-C4'-P energy: -49.074 tors. eta vs tors. theta energy: -114.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1201.314166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.314166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.314166 (E_RNA) where: Base-Base interactions energy: -780.217 where: short stacking energy: -350.941 Base-Backbone interact. energy: -1.419 local terms energy: -419.677990 where: bonds (distance) C4'-P energy: -84.351 bonds (distance) P-C4' energy: -83.955 flat angles C4'-P-C4' energy: -95.712 flat angles P-C4'-P energy: -60.740 tors. eta vs tors. theta energy: -94.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1014.750452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.750452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.750452 (E_RNA) where: Base-Base interactions energy: -644.267 where: short stacking energy: -307.468 Base-Backbone interact. energy: -1.500 local terms energy: -368.983979 where: bonds (distance) C4'-P energy: -80.260 bonds (distance) P-C4' energy: -86.913 flat angles C4'-P-C4' energy: -86.998 flat angles P-C4'-P energy: -49.093 tors. eta vs tors. theta energy: -65.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -728.926867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.926867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.926867 (E_RNA) where: Base-Base interactions energy: -424.206 where: short stacking energy: -208.233 Base-Backbone interact. energy: 0.602 local terms energy: -305.322576 where: bonds (distance) C4'-P energy: -75.768 bonds (distance) P-C4' energy: -77.177 flat angles C4'-P-C4' energy: -69.275 flat angles P-C4'-P energy: -61.885 tors. eta vs tors. theta energy: -21.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -587.020907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.020907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.020907 (E_RNA) where: Base-Base interactions energy: -306.385 where: short stacking energy: -171.480 Base-Backbone interact. energy: 3.884 local terms energy: -284.519496 where: bonds (distance) C4'-P energy: -75.826 bonds (distance) P-C4' energy: -74.170 flat angles C4'-P-C4' energy: -55.561 flat angles P-C4'-P energy: -58.939 tors. eta vs tors. theta energy: -20.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -370.630108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -370.630108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -370.630108 (E_RNA) where: Base-Base interactions energy: -132.726 where: short stacking energy: -123.920 Base-Backbone interact. energy: 3.923 local terms energy: -241.826778 where: bonds (distance) C4'-P energy: -72.229 bonds (distance) P-C4' energy: -72.300 flat angles C4'-P-C4' energy: -53.720 flat angles P-C4'-P energy: -51.390 tors. eta vs tors. theta energy: 7.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1711.192378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.192378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.192378 (E_RNA) where: Base-Base interactions energy: -1162.528 where: short stacking energy: -505.219 Base-Backbone interact. energy: -2.856 local terms energy: -545.808606 where: bonds (distance) C4'-P energy: -101.657 bonds (distance) P-C4' energy: -84.696 flat angles C4'-P-C4' energy: -115.615 flat angles P-C4'-P energy: -74.562 tors. eta vs tors. theta energy: -169.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1624.818873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.818873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.818873 (E_RNA) where: Base-Base interactions energy: -1103.710 where: short stacking energy: -484.897 Base-Backbone interact. energy: -2.107 local terms energy: -519.002262 where: bonds (distance) C4'-P energy: -104.796 bonds (distance) P-C4' energy: -87.909 flat angles C4'-P-C4' energy: -103.947 flat angles P-C4'-P energy: -72.265 tors. eta vs tors. theta energy: -150.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1563.214939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.214939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.214939 (E_RNA) where: Base-Base interactions energy: -1053.747 where: short stacking energy: -485.050 Base-Backbone interact. energy: -2.718 local terms energy: -506.750138 where: bonds (distance) C4'-P energy: -95.170 bonds (distance) P-C4' energy: -86.162 flat angles C4'-P-C4' energy: -108.554 flat angles P-C4'-P energy: -63.731 tors. eta vs tors. theta energy: -153.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1509.215671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.215671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.215671 (E_RNA) where: Base-Base interactions energy: -1048.027 where: short stacking energy: -458.872 Base-Backbone interact. energy: 0.995 local terms energy: -462.183721 where: bonds (distance) C4'-P energy: -81.536 bonds (distance) P-C4' energy: -85.645 flat angles C4'-P-C4' energy: -102.747 flat angles P-C4'-P energy: -61.328 tors. eta vs tors. theta energy: -130.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1403.021928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.021928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.021928 (E_RNA) where: Base-Base interactions energy: -961.240 where: short stacking energy: -426.533 Base-Backbone interact. energy: -3.816 local terms energy: -437.966034 where: bonds (distance) C4'-P energy: -91.780 bonds (distance) P-C4' energy: -84.896 flat angles C4'-P-C4' energy: -92.148 flat angles P-C4'-P energy: -52.544 tors. eta vs tors. theta energy: -116.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1222.582300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.582300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.582300 (E_RNA) where: Base-Base interactions energy: -799.710 where: short stacking energy: -369.018 Base-Backbone interact. energy: -1.784 local terms energy: -421.087584 where: bonds (distance) C4'-P energy: -85.872 bonds (distance) P-C4' energy: -92.243 flat angles C4'-P-C4' energy: -82.886 flat angles P-C4'-P energy: -54.080 tors. eta vs tors. theta energy: -106.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -965.869858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.869858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.869858 (E_RNA) where: Base-Base interactions energy: -610.122 where: short stacking energy: -294.841 Base-Backbone interact. energy: -2.475 local terms energy: -353.272668 where: bonds (distance) C4'-P energy: -69.985 bonds (distance) P-C4' energy: -71.685 flat angles C4'-P-C4' energy: -83.620 flat angles P-C4'-P energy: -62.331 tors. eta vs tors. theta energy: -65.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -750.396592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.396592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.396592 (E_RNA) where: Base-Base interactions energy: -439.723 where: short stacking energy: -225.240 Base-Backbone interact. energy: -2.263 local terms energy: -308.411183 where: bonds (distance) C4'-P energy: -73.156 bonds (distance) P-C4' energy: -82.007 flat angles C4'-P-C4' energy: -75.602 flat angles P-C4'-P energy: -45.309 tors. eta vs tors. theta energy: -32.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -562.031183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.031183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.031183 (E_RNA) where: Base-Base interactions energy: -282.909 where: short stacking energy: -163.495 Base-Backbone interact. energy: 0.115 local terms energy: -279.237587 where: bonds (distance) C4'-P energy: -74.498 bonds (distance) P-C4' energy: -85.044 flat angles C4'-P-C4' energy: -66.530 flat angles P-C4'-P energy: -41.758 tors. eta vs tors. theta energy: -11.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -394.742916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.742916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.742916 (E_RNA) where: Base-Base interactions energy: -152.778 where: short stacking energy: -97.339 Base-Backbone interact. energy: 6.040 local terms energy: -248.005236 where: bonds (distance) C4'-P energy: -75.545 bonds (distance) P-C4' energy: -79.306 flat angles C4'-P-C4' energy: -56.117 flat angles P-C4'-P energy: -47.075 tors. eta vs tors. theta energy: 10.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1714.533497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.533497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.533497 (E_RNA) where: Base-Base interactions energy: -1177.265 where: short stacking energy: -504.374 Base-Backbone interact. energy: -0.740 local terms energy: -536.528680 where: bonds (distance) C4'-P energy: -98.733 bonds (distance) P-C4' energy: -97.150 flat angles C4'-P-C4' energy: -105.829 flat angles P-C4'-P energy: -75.387 tors. eta vs tors. theta energy: -159.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1592.417245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.417245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.417245 (E_RNA) where: Base-Base interactions energy: -1056.077 where: short stacking energy: -472.770 Base-Backbone interact. energy: -2.204 local terms energy: -534.137056 where: bonds (distance) C4'-P energy: -98.691 bonds (distance) P-C4' energy: -87.568 flat angles C4'-P-C4' energy: -111.372 flat angles P-C4'-P energy: -80.646 tors. eta vs tors. theta energy: -155.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1576.352604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.352604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.352604 (E_RNA) where: Base-Base interactions energy: -1085.624 where: short stacking energy: -479.378 Base-Backbone interact. energy: 1.724 local terms energy: -492.452783 where: bonds (distance) C4'-P energy: -79.179 bonds (distance) P-C4' energy: -94.072 flat angles C4'-P-C4' energy: -104.570 flat angles P-C4'-P energy: -72.283 tors. eta vs tors. theta energy: -142.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1527.908423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.908423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.908423 (E_RNA) where: Base-Base interactions energy: -1070.670 where: short stacking energy: -472.775 Base-Backbone interact. energy: -0.248 local terms energy: -456.990127 where: bonds (distance) C4'-P energy: -89.318 bonds (distance) P-C4' energy: -64.188 flat angles C4'-P-C4' energy: -97.497 flat angles P-C4'-P energy: -71.034 tors. eta vs tors. theta energy: -134.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1424.298988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.298988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.298988 (E_RNA) where: Base-Base interactions energy: -978.252 where: short stacking energy: -422.016 Base-Backbone interact. energy: 0.556 local terms energy: -446.602786 where: bonds (distance) C4'-P energy: -74.179 bonds (distance) P-C4' energy: -85.018 flat angles C4'-P-C4' energy: -97.318 flat angles P-C4'-P energy: -71.072 tors. eta vs tors. theta energy: -119.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -1232.301316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.301316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.301316 (E_RNA) where: Base-Base interactions energy: -810.884 where: short stacking energy: -391.738 Base-Backbone interact. energy: 0.008 local terms energy: -421.426032 where: bonds (distance) C4'-P energy: -80.987 bonds (distance) P-C4' energy: -89.909 flat angles C4'-P-C4' energy: -88.490 flat angles P-C4'-P energy: -54.823 tors. eta vs tors. theta energy: -107.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -967.853293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.853293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.853293 (E_RNA) where: Base-Base interactions energy: -617.873 where: short stacking energy: -278.383 Base-Backbone interact. energy: -2.248 local terms energy: -347.732080 where: bonds (distance) C4'-P energy: -88.275 bonds (distance) P-C4' energy: -83.077 flat angles C4'-P-C4' energy: -77.428 flat angles P-C4'-P energy: -55.041 tors. eta vs tors. theta energy: -43.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -755.094181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.094181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.094181 (E_RNA) where: Base-Base interactions energy: -468.067 where: short stacking energy: -216.261 Base-Backbone interact. energy: -1.093 local terms energy: -285.933848 where: bonds (distance) C4'-P energy: -56.739 bonds (distance) P-C4' energy: -87.723 flat angles C4'-P-C4' energy: -73.103 flat angles P-C4'-P energy: -45.211 tors. eta vs tors. theta energy: -23.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -567.501755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.501755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.501755 (E_RNA) where: Base-Base interactions energy: -279.346 where: short stacking energy: -159.299 Base-Backbone interact. energy: -0.055 local terms energy: -288.100940 where: bonds (distance) C4'-P energy: -80.391 bonds (distance) P-C4' energy: -89.317 flat angles C4'-P-C4' energy: -73.262 flat angles P-C4'-P energy: -46.354 tors. eta vs tors. theta energy: 1.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -423.052439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.052439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.052439 (E_RNA) where: Base-Base interactions energy: -163.165 where: short stacking energy: -107.410 Base-Backbone interact. energy: -0.590 local terms energy: -259.297479 where: bonds (distance) C4'-P energy: -77.206 bonds (distance) P-C4' energy: -74.292 flat angles C4'-P-C4' energy: -64.715 flat angles P-C4'-P energy: -45.269 tors. eta vs tors. theta energy: 2.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1705.679237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.679237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.679237 (E_RNA) where: Base-Base interactions energy: -1166.285 where: short stacking energy: -510.940 Base-Backbone interact. energy: -2.603 local terms energy: -536.791323 where: bonds (distance) C4'-P energy: -98.302 bonds (distance) P-C4' energy: -97.266 flat angles C4'-P-C4' energy: -111.000 flat angles P-C4'-P energy: -69.765 tors. eta vs tors. theta energy: -160.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1617.987167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.987167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.987167 (E_RNA) where: Base-Base interactions energy: -1117.530 where: short stacking energy: -510.743 Base-Backbone interact. energy: -2.532 local terms energy: -497.925063 where: bonds (distance) C4'-P energy: -85.943 bonds (distance) P-C4' energy: -92.619 flat angles C4'-P-C4' energy: -97.371 flat angles P-C4'-P energy: -66.620 tors. eta vs tors. theta energy: -155.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1584.713397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.713397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.713397 (E_RNA) where: Base-Base interactions energy: -1100.553 where: short stacking energy: -487.731 Base-Backbone interact. energy: -1.710 local terms energy: -482.450423 where: bonds (distance) C4'-P energy: -82.908 bonds (distance) P-C4' energy: -87.754 flat angles C4'-P-C4' energy: -107.014 flat angles P-C4'-P energy: -57.745 tors. eta vs tors. theta energy: -147.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1520.038988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.038988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.038988 (E_RNA) where: Base-Base interactions energy: -1026.855 where: short stacking energy: -463.915 Base-Backbone interact. energy: -2.133 local terms energy: -491.050623 where: bonds (distance) C4'-P energy: -89.038 bonds (distance) P-C4' energy: -84.557 flat angles C4'-P-C4' energy: -101.496 flat angles P-C4'-P energy: -79.321 tors. eta vs tors. theta energy: -136.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1350.014565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.014565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.014565 (E_RNA) where: Base-Base interactions energy: -920.619 where: short stacking energy: -389.789 Base-Backbone interact. energy: 2.150 local terms energy: -431.545808 where: bonds (distance) C4'-P energy: -85.123 bonds (distance) P-C4' energy: -89.041 flat angles C4'-P-C4' energy: -92.168 flat angles P-C4'-P energy: -70.013 tors. eta vs tors. theta energy: -95.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1215.354337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.354337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.354337 (E_RNA) where: Base-Base interactions energy: -790.791 where: short stacking energy: -365.510 Base-Backbone interact. energy: -2.024 local terms energy: -422.539926 where: bonds (distance) C4'-P energy: -72.044 bonds (distance) P-C4' energy: -79.578 flat angles C4'-P-C4' energy: -106.671 flat angles P-C4'-P energy: -63.460 tors. eta vs tors. theta energy: -100.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -958.085478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.085478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.085478 (E_RNA) where: Base-Base interactions energy: -612.767 where: short stacking energy: -272.564 Base-Backbone interact. energy: -2.470 local terms energy: -342.848764 where: bonds (distance) C4'-P energy: -78.309 bonds (distance) P-C4' energy: -72.287 flat angles C4'-P-C4' energy: -95.060 flat angles P-C4'-P energy: -47.877 tors. eta vs tors. theta energy: -49.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -768.271095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.271095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.271095 (E_RNA) where: Base-Base interactions energy: -439.128 where: short stacking energy: -189.654 Base-Backbone interact. energy: -2.819 local terms energy: -326.323796 where: bonds (distance) C4'-P energy: -92.850 bonds (distance) P-C4' energy: -93.394 flat angles C4'-P-C4' energy: -70.962 flat angles P-C4'-P energy: -41.572 tors. eta vs tors. theta energy: -27.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -572.403764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.403764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.403764 (E_RNA) where: Base-Base interactions energy: -299.595 where: short stacking energy: -164.717 Base-Backbone interact. energy: 2.114 local terms energy: -274.923040 where: bonds (distance) C4'-P energy: -61.757 bonds (distance) P-C4' energy: -77.904 flat angles C4'-P-C4' energy: -69.150 flat angles P-C4'-P energy: -54.237 tors. eta vs tors. theta energy: -11.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -375.009416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.009416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.009416 (E_RNA) where: Base-Base interactions energy: -139.495 where: short stacking energy: -105.053 Base-Backbone interact. energy: 0.515 local terms energy: -236.028872 where: bonds (distance) C4'-P energy: -68.544 bonds (distance) P-C4' energy: -82.558 flat angles C4'-P-C4' energy: -58.543 flat angles P-C4'-P energy: -37.892 tors. eta vs tors. theta energy: 11.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1712.528097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.528097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.528097 (E_RNA) where: Base-Base interactions energy: -1193.397 where: short stacking energy: -533.902 Base-Backbone interact. energy: -3.391 local terms energy: -515.740464 where: bonds (distance) C4'-P energy: -90.850 bonds (distance) P-C4' energy: -81.681 flat angles C4'-P-C4' energy: -101.449 flat angles P-C4'-P energy: -77.011 tors. eta vs tors. theta energy: -164.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1611.258572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.258572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.258572 (E_RNA) where: Base-Base interactions energy: -1074.686 where: short stacking energy: -497.300 Base-Backbone interact. energy: -1.827 local terms energy: -534.745388 where: bonds (distance) C4'-P energy: -93.853 bonds (distance) P-C4' energy: -97.431 flat angles C4'-P-C4' energy: -107.025 flat angles P-C4'-P energy: -75.777 tors. eta vs tors. theta energy: -160.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1596.347446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.347446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.347446 (E_RNA) where: Base-Base interactions energy: -1119.522 where: short stacking energy: -469.746 Base-Backbone interact. energy: 0.553 local terms energy: -477.378313 where: bonds (distance) C4'-P energy: -79.156 bonds (distance) P-C4' energy: -87.339 flat angles C4'-P-C4' energy: -99.451 flat angles P-C4'-P energy: -76.110 tors. eta vs tors. theta energy: -135.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1526.126830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.126830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.126830 (E_RNA) where: Base-Base interactions energy: -1052.022 where: short stacking energy: -455.308 Base-Backbone interact. energy: -1.919 local terms energy: -472.185250 where: bonds (distance) C4'-P energy: -88.093 bonds (distance) P-C4' energy: -86.053 flat angles C4'-P-C4' energy: -99.113 flat angles P-C4'-P energy: -67.616 tors. eta vs tors. theta energy: -131.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1338.987778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.987778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.987778 (E_RNA) where: Base-Base interactions energy: -903.981 where: short stacking energy: -391.059 Base-Backbone interact. energy: -1.001 local terms energy: -434.005802 where: bonds (distance) C4'-P energy: -81.523 bonds (distance) P-C4' energy: -90.894 flat angles C4'-P-C4' energy: -88.413 flat angles P-C4'-P energy: -63.620 tors. eta vs tors. theta energy: -109.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1216.717294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.717294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.717294 (E_RNA) where: Base-Base interactions energy: -788.420 where: short stacking energy: -376.858 Base-Backbone interact. energy: -0.850 local terms energy: -427.447260 where: bonds (distance) C4'-P energy: -91.389 bonds (distance) P-C4' energy: -80.501 flat angles C4'-P-C4' energy: -86.992 flat angles P-C4'-P energy: -59.092 tors. eta vs tors. theta energy: -109.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -977.963190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.963190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.963190 (E_RNA) where: Base-Base interactions energy: -623.769 where: short stacking energy: -309.215 Base-Backbone interact. energy: 1.344 local terms energy: -355.538449 where: bonds (distance) C4'-P energy: -82.205 bonds (distance) P-C4' energy: -71.958 flat angles C4'-P-C4' energy: -91.389 flat angles P-C4'-P energy: -45.223 tors. eta vs tors. theta energy: -64.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -828.954173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.954173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.954173 (E_RNA) where: Base-Base interactions energy: -503.821 where: short stacking energy: -238.922 Base-Backbone interact. energy: 1.144 local terms energy: -326.277238 where: bonds (distance) C4'-P energy: -79.374 bonds (distance) P-C4' energy: -83.139 flat angles C4'-P-C4' energy: -77.362 flat angles P-C4'-P energy: -48.044 tors. eta vs tors. theta energy: -38.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -610.241376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.241376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.241376 (E_RNA) where: Base-Base interactions energy: -333.344 where: short stacking energy: -144.717 Base-Backbone interact. energy: 2.704 local terms energy: -279.600613 where: bonds (distance) C4'-P energy: -87.830 bonds (distance) P-C4' energy: -63.379 flat angles C4'-P-C4' energy: -80.106 flat angles P-C4'-P energy: -47.185 tors. eta vs tors. theta energy: -1.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -381.995270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -381.995270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -381.995270 (E_RNA) where: Base-Base interactions energy: -147.061 where: short stacking energy: -105.737 Base-Backbone interact. energy: 3.908 local terms energy: -238.841679 where: bonds (distance) C4'-P energy: -80.281 bonds (distance) P-C4' energy: -88.912 flat angles C4'-P-C4' energy: -58.485 flat angles P-C4'-P energy: -19.648 tors. eta vs tors. theta energy: 8.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1694.384273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.384273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.384273 (E_RNA) where: Base-Base interactions energy: -1171.855 where: short stacking energy: -509.960 Base-Backbone interact. energy: -2.627 local terms energy: -519.902380 where: bonds (distance) C4'-P energy: -91.957 bonds (distance) P-C4' energy: -97.798 flat angles C4'-P-C4' energy: -108.968 flat angles P-C4'-P energy: -70.453 tors. eta vs tors. theta energy: -150.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1615.871529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.871529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.871529 (E_RNA) where: Base-Base interactions energy: -1115.964 where: short stacking energy: -524.533 Base-Backbone interact. energy: -1.228 local terms energy: -498.680201 where: bonds (distance) C4'-P energy: -83.775 bonds (distance) P-C4' energy: -86.982 flat angles C4'-P-C4' energy: -101.023 flat angles P-C4'-P energy: -71.291 tors. eta vs tors. theta energy: -155.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1567.049686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.049686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.049686 (E_RNA) where: Base-Base interactions energy: -1083.548 where: short stacking energy: -463.890 Base-Backbone interact. energy: -1.281 local terms energy: -482.221284 where: bonds (distance) C4'-P energy: -97.386 bonds (distance) P-C4' energy: -89.286 flat angles C4'-P-C4' energy: -102.294 flat angles P-C4'-P energy: -58.368 tors. eta vs tors. theta energy: -134.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1519.702330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.702330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.702330 (E_RNA) where: Base-Base interactions energy: -1039.099 where: short stacking energy: -457.592 Base-Backbone interact. energy: -2.768 local terms energy: -477.834740 where: bonds (distance) C4'-P energy: -78.646 bonds (distance) P-C4' energy: -88.090 flat angles C4'-P-C4' energy: -100.295 flat angles P-C4'-P energy: -67.529 tors. eta vs tors. theta energy: -143.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1330.167993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.167993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.167993 (E_RNA) where: Base-Base interactions energy: -918.105 where: short stacking energy: -385.854 Base-Backbone interact. energy: -2.330 local terms energy: -409.733775 where: bonds (distance) C4'-P energy: -78.129 bonds (distance) P-C4' energy: -74.351 flat angles C4'-P-C4' energy: -103.859 flat angles P-C4'-P energy: -63.114 tors. eta vs tors. theta energy: -90.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -1241.263577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.263577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.263577 (E_RNA) where: Base-Base interactions energy: -841.750 where: short stacking energy: -368.701 Base-Backbone interact. energy: 6.209 local terms energy: -405.722719 where: bonds (distance) C4'-P energy: -73.599 bonds (distance) P-C4' energy: -84.348 flat angles C4'-P-C4' energy: -98.888 flat angles P-C4'-P energy: -60.197 tors. eta vs tors. theta energy: -88.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -971.569393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.569393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.569393 (E_RNA) where: Base-Base interactions energy: -606.796 where: short stacking energy: -294.789 Base-Backbone interact. energy: -2.446 local terms energy: -362.327506 where: bonds (distance) C4'-P energy: -85.572 bonds (distance) P-C4' energy: -86.082 flat angles C4'-P-C4' energy: -77.438 flat angles P-C4'-P energy: -53.727 tors. eta vs tors. theta energy: -59.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -875.918524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.918524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.918524 (E_RNA) where: Base-Base interactions energy: -516.737 where: short stacking energy: -249.980 Base-Backbone interact. energy: -3.158 local terms energy: -356.023211 where: bonds (distance) C4'-P energy: -75.335 bonds (distance) P-C4' energy: -91.103 flat angles C4'-P-C4' energy: -82.846 flat angles P-C4'-P energy: -49.906 tors. eta vs tors. theta energy: -56.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -598.713733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.713733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.713733 (E_RNA) where: Base-Base interactions energy: -324.556 where: short stacking energy: -177.408 Base-Backbone interact. energy: 2.470 local terms energy: -276.628353 where: bonds (distance) C4'-P energy: -83.094 bonds (distance) P-C4' energy: -78.347 flat angles C4'-P-C4' energy: -69.541 flat angles P-C4'-P energy: -34.222 tors. eta vs tors. theta energy: -11.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -446.638113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.638113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.638113 (E_RNA) where: Base-Base interactions energy: -206.088 where: short stacking energy: -134.416 Base-Backbone interact. energy: 1.341 local terms energy: -241.890463 where: bonds (distance) C4'-P energy: -87.017 bonds (distance) P-C4' energy: -52.135 flat angles C4'-P-C4' energy: -68.459 flat angles P-C4'-P energy: -36.767 tors. eta vs tors. theta energy: 2.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1724.291870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.291870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.291870 (E_RNA) where: Base-Base interactions energy: -1169.265 where: short stacking energy: -511.199 Base-Backbone interact. energy: -4.068 local terms energy: -550.959584 where: bonds (distance) C4'-P energy: -105.442 bonds (distance) P-C4' energy: -89.835 flat angles C4'-P-C4' energy: -109.693 flat angles P-C4'-P energy: -79.936 tors. eta vs tors. theta energy: -166.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1597.858978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.858978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.858978 (E_RNA) where: Base-Base interactions energy: -1074.567 where: short stacking energy: -521.912 Base-Backbone interact. energy: 0.182 local terms energy: -523.474835 where: bonds (distance) C4'-P energy: -98.567 bonds (distance) P-C4' energy: -84.894 flat angles C4'-P-C4' energy: -107.401 flat angles P-C4'-P energy: -78.889 tors. eta vs tors. theta energy: -153.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1601.069718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.069718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.069718 (E_RNA) where: Base-Base interactions energy: -1107.389 where: short stacking energy: -473.307 Base-Backbone interact. energy: -0.480 local terms energy: -493.200894 where: bonds (distance) C4'-P energy: -85.121 bonds (distance) P-C4' energy: -87.227 flat angles C4'-P-C4' energy: -110.777 flat angles P-C4'-P energy: -67.064 tors. eta vs tors. theta energy: -143.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1555.750506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.750506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.750506 (E_RNA) where: Base-Base interactions energy: -1079.378 where: short stacking energy: -477.607 Base-Backbone interact. energy: 2.537 local terms energy: -478.909425 where: bonds (distance) C4'-P energy: -88.366 bonds (distance) P-C4' energy: -71.740 flat angles C4'-P-C4' energy: -102.377 flat angles P-C4'-P energy: -68.590 tors. eta vs tors. theta energy: -147.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1322.360483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.360483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.360483 (E_RNA) where: Base-Base interactions energy: -882.157 where: short stacking energy: -384.755 Base-Backbone interact. energy: -1.812 local terms energy: -438.391769 where: bonds (distance) C4'-P energy: -80.663 bonds (distance) P-C4' energy: -85.203 flat angles C4'-P-C4' energy: -88.433 flat angles P-C4'-P energy: -64.005 tors. eta vs tors. theta energy: -120.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1214.174861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.174861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.174861 (E_RNA) where: Base-Base interactions energy: -817.297 where: short stacking energy: -354.446 Base-Backbone interact. energy: -1.802 local terms energy: -395.076435 where: bonds (distance) C4'-P energy: -81.720 bonds (distance) P-C4' energy: -78.991 flat angles C4'-P-C4' energy: -92.206 flat angles P-C4'-P energy: -60.936 tors. eta vs tors. theta energy: -81.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -985.535825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.535825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.535825 (E_RNA) where: Base-Base interactions energy: -614.958 where: short stacking energy: -301.897 Base-Backbone interact. energy: 0.261 local terms energy: -370.838712 where: bonds (distance) C4'-P energy: -68.085 bonds (distance) P-C4' energy: -92.062 flat angles C4'-P-C4' energy: -79.652 flat angles P-C4'-P energy: -61.495 tors. eta vs tors. theta energy: -69.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -831.657096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.657096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.657096 (E_RNA) where: Base-Base interactions energy: -505.551 where: short stacking energy: -234.894 Base-Backbone interact. energy: -2.259 local terms energy: -323.846239 where: bonds (distance) C4'-P energy: -82.919 bonds (distance) P-C4' energy: -83.056 flat angles C4'-P-C4' energy: -85.572 flat angles P-C4'-P energy: -38.780 tors. eta vs tors. theta energy: -33.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -555.807074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.807074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.807074 (E_RNA) where: Base-Base interactions energy: -280.028 where: short stacking energy: -163.636 Base-Backbone interact. energy: -1.055 local terms energy: -274.724497 where: bonds (distance) C4'-P energy: -80.451 bonds (distance) P-C4' energy: -67.122 flat angles C4'-P-C4' energy: -77.119 flat angles P-C4'-P energy: -50.406 tors. eta vs tors. theta energy: 0.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -423.875946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.875946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.875946 (E_RNA) where: Base-Base interactions energy: -179.114 where: short stacking energy: -103.222 Base-Backbone interact. energy: 1.337 local terms energy: -246.098817 where: bonds (distance) C4'-P energy: -79.572 bonds (distance) P-C4' energy: -75.049 flat angles C4'-P-C4' energy: -56.661 flat angles P-C4'-P energy: -41.171 tors. eta vs tors. theta energy: 6.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1702.751316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.751316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.751316 (E_RNA) where: Base-Base interactions energy: -1175.457 where: short stacking energy: -512.978 Base-Backbone interact. energy: -1.904 local terms energy: -525.390324 where: bonds (distance) C4'-P energy: -84.899 bonds (distance) P-C4' energy: -96.047 flat angles C4'-P-C4' energy: -112.282 flat angles P-C4'-P energy: -68.831 tors. eta vs tors. theta energy: -163.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1607.795712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.795712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.795712 (E_RNA) where: Base-Base interactions energy: -1086.474 where: short stacking energy: -502.866 Base-Backbone interact. energy: -2.300 local terms energy: -519.021860 where: bonds (distance) C4'-P energy: -85.145 bonds (distance) P-C4' energy: -97.852 flat angles C4'-P-C4' energy: -108.530 flat angles P-C4'-P energy: -78.510 tors. eta vs tors. theta energy: -148.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1580.285786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.285786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.285786 (E_RNA) where: Base-Base interactions energy: -1087.701 where: short stacking energy: -478.877 Base-Backbone interact. energy: -2.284 local terms energy: -490.300489 where: bonds (distance) C4'-P energy: -88.629 bonds (distance) P-C4' energy: -89.702 flat angles C4'-P-C4' energy: -105.433 flat angles P-C4'-P energy: -66.638 tors. eta vs tors. theta energy: -139.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1522.002528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.002528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.002528 (E_RNA) where: Base-Base interactions energy: -1045.441 where: short stacking energy: -470.587 Base-Backbone interact. energy: -0.272 local terms energy: -476.289606 where: bonds (distance) C4'-P energy: -85.650 bonds (distance) P-C4' energy: -85.649 flat angles C4'-P-C4' energy: -99.756 flat angles P-C4'-P energy: -66.204 tors. eta vs tors. theta energy: -139.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1327.723411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.723411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.723411 (E_RNA) where: Base-Base interactions energy: -902.482 where: short stacking energy: -405.084 Base-Backbone interact. energy: -1.161 local terms energy: -424.080293 where: bonds (distance) C4'-P energy: -79.838 bonds (distance) P-C4' energy: -83.964 flat angles C4'-P-C4' energy: -97.102 flat angles P-C4'-P energy: -53.235 tors. eta vs tors. theta energy: -109.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1256.963554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.963554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.963554 (E_RNA) where: Base-Base interactions energy: -843.761 where: short stacking energy: -393.340 Base-Backbone interact. energy: -0.824 local terms energy: -412.378466 where: bonds (distance) C4'-P energy: -73.360 bonds (distance) P-C4' energy: -81.452 flat angles C4'-P-C4' energy: -92.994 flat angles P-C4'-P energy: -49.296 tors. eta vs tors. theta energy: -115.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -985.231417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.231417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.231417 (E_RNA) where: Base-Base interactions energy: -619.159 where: short stacking energy: -311.377 Base-Backbone interact. energy: -0.132 local terms energy: -365.940477 where: bonds (distance) C4'-P energy: -78.606 bonds (distance) P-C4' energy: -83.284 flat angles C4'-P-C4' energy: -89.225 flat angles P-C4'-P energy: -45.177 tors. eta vs tors. theta energy: -69.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -740.911013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.911013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.911013 (E_RNA) where: Base-Base interactions energy: -403.678 where: short stacking energy: -208.037 Base-Backbone interact. energy: 11.254 local terms energy: -348.486748 where: bonds (distance) C4'-P energy: -93.219 bonds (distance) P-C4' energy: -86.158 flat angles C4'-P-C4' energy: -90.727 flat angles P-C4'-P energy: -41.033 tors. eta vs tors. theta energy: -37.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -504.399856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.399856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.399856 (E_RNA) where: Base-Base interactions energy: -243.341 where: short stacking energy: -163.665 Base-Backbone interact. energy: 1.186 local terms energy: -262.245206 where: bonds (distance) C4'-P energy: -72.851 bonds (distance) P-C4' energy: -72.700 flat angles C4'-P-C4' energy: -78.004 flat angles P-C4'-P energy: -40.432 tors. eta vs tors. theta energy: 1.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -422.035355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.035355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.035355 (E_RNA) where: Base-Base interactions energy: -164.161 where: short stacking energy: -121.459 Base-Backbone interact. energy: 0.307 local terms energy: -258.180619 where: bonds (distance) C4'-P energy: -80.383 bonds (distance) P-C4' energy: -74.381 flat angles C4'-P-C4' energy: -76.407 flat angles P-C4'-P energy: -38.582 tors. eta vs tors. theta energy: 11.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1705.109972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.109972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.109972 (E_RNA) where: Base-Base interactions energy: -1169.644 where: short stacking energy: -530.814 Base-Backbone interact. energy: -3.319 local terms energy: -532.147310 where: bonds (distance) C4'-P energy: -100.282 bonds (distance) P-C4' energy: -93.854 flat angles C4'-P-C4' energy: -98.796 flat angles P-C4'-P energy: -73.011 tors. eta vs tors. theta energy: -166.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1620.735818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.735818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.735818 (E_RNA) where: Base-Base interactions energy: -1114.015 where: short stacking energy: -490.269 Base-Backbone interact. energy: -3.272 local terms energy: -503.448356 where: bonds (distance) C4'-P energy: -82.912 bonds (distance) P-C4' energy: -93.529 flat angles C4'-P-C4' energy: -107.837 flat angles P-C4'-P energy: -75.901 tors. eta vs tors. theta energy: -143.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1556.927608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.927608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.927608 (E_RNA) where: Base-Base interactions energy: -1049.773 where: short stacking energy: -483.396 Base-Backbone interact. energy: -0.928 local terms energy: -506.226243 where: bonds (distance) C4'-P energy: -93.940 bonds (distance) P-C4' energy: -84.474 flat angles C4'-P-C4' energy: -103.791 flat angles P-C4'-P energy: -79.221 tors. eta vs tors. theta energy: -144.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1549.171496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.171496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.171496 (E_RNA) where: Base-Base interactions energy: -1067.386 where: short stacking energy: -463.443 Base-Backbone interact. energy: 0.907 local terms energy: -482.692713 where: bonds (distance) C4'-P energy: -93.566 bonds (distance) P-C4' energy: -93.911 flat angles C4'-P-C4' energy: -90.575 flat angles P-C4'-P energy: -66.417 tors. eta vs tors. theta energy: -138.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1350.696161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.696161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.696161 (E_RNA) where: Base-Base interactions energy: -934.961 where: short stacking energy: -417.046 Base-Backbone interact. energy: -1.680 local terms energy: -414.055443 where: bonds (distance) C4'-P energy: -83.719 bonds (distance) P-C4' energy: -87.757 flat angles C4'-P-C4' energy: -79.293 flat angles P-C4'-P energy: -55.564 tors. eta vs tors. theta energy: -107.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1304.489888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.489888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.489888 (E_RNA) where: Base-Base interactions energy: -873.989 where: short stacking energy: -400.715 Base-Backbone interact. energy: -1.032 local terms energy: -429.469033 where: bonds (distance) C4'-P energy: -77.611 bonds (distance) P-C4' energy: -90.205 flat angles C4'-P-C4' energy: -94.773 flat angles P-C4'-P energy: -53.566 tors. eta vs tors. theta energy: -113.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -981.693136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.693136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.693136 (E_RNA) where: Base-Base interactions energy: -621.499 where: short stacking energy: -298.992 Base-Backbone interact. energy: 0.549 local terms energy: -360.743085 where: bonds (distance) C4'-P energy: -68.326 bonds (distance) P-C4' energy: -93.965 flat angles C4'-P-C4' energy: -75.583 flat angles P-C4'-P energy: -53.495 tors. eta vs tors. theta energy: -69.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -781.745740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.745740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.745740 (E_RNA) where: Base-Base interactions energy: -471.779 where: short stacking energy: -247.885 Base-Backbone interact. energy: -0.694 local terms energy: -309.272737 where: bonds (distance) C4'-P energy: -74.525 bonds (distance) P-C4' energy: -71.173 flat angles C4'-P-C4' energy: -95.554 flat angles P-C4'-P energy: -33.044 tors. eta vs tors. theta energy: -34.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -515.106918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.106918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.106918 (E_RNA) where: Base-Base interactions energy: -249.300 where: short stacking energy: -163.058 Base-Backbone interact. energy: 1.971 local terms energy: -267.777021 where: bonds (distance) C4'-P energy: -75.693 bonds (distance) P-C4' energy: -77.138 flat angles C4'-P-C4' energy: -74.361 flat angles P-C4'-P energy: -43.037 tors. eta vs tors. theta energy: 2.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -472.336791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.336791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.336791 (E_RNA) where: Base-Base interactions energy: -204.778 where: short stacking energy: -152.820 Base-Backbone interact. energy: 3.301 local terms energy: -270.860181 where: bonds (distance) C4'-P energy: -82.272 bonds (distance) P-C4' energy: -75.048 flat angles C4'-P-C4' energy: -66.926 flat angles P-C4'-P energy: -32.574 tors. eta vs tors. theta energy: -14.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1713.096448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.096448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.096448 (E_RNA) where: Base-Base interactions energy: -1175.283 where: short stacking energy: -510.956 Base-Backbone interact. energy: -1.482 local terms energy: -536.331932 where: bonds (distance) C4'-P energy: -92.893 bonds (distance) P-C4' energy: -92.139 flat angles C4'-P-C4' energy: -113.328 flat angles P-C4'-P energy: -77.714 tors. eta vs tors. theta energy: -160.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1637.282467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.282467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.282467 (E_RNA) where: Base-Base interactions energy: -1126.503 where: short stacking energy: -496.063 Base-Backbone interact. energy: -1.292 local terms energy: -509.486937 where: bonds (distance) C4'-P energy: -85.841 bonds (distance) P-C4' energy: -92.667 flat angles C4'-P-C4' energy: -110.182 flat angles P-C4'-P energy: -68.228 tors. eta vs tors. theta energy: -152.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1588.039382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.039382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.039382 (E_RNA) where: Base-Base interactions energy: -1099.096 where: short stacking energy: -493.302 Base-Backbone interact. energy: -1.549 local terms energy: -487.395055 where: bonds (distance) C4'-P energy: -89.799 bonds (distance) P-C4' energy: -89.575 flat angles C4'-P-C4' energy: -95.031 flat angles P-C4'-P energy: -70.887 tors. eta vs tors. theta energy: -142.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1525.252322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.252322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.252322 (E_RNA) where: Base-Base interactions energy: -1039.772 where: short stacking energy: -477.294 Base-Backbone interact. energy: -0.720 local terms energy: -484.760074 where: bonds (distance) C4'-P energy: -83.578 bonds (distance) P-C4' energy: -86.351 flat angles C4'-P-C4' energy: -112.928 flat angles P-C4'-P energy: -59.528 tors. eta vs tors. theta energy: -142.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1375.862057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.862057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.862057 (E_RNA) where: Base-Base interactions energy: -929.148 where: short stacking energy: -389.387 Base-Backbone interact. energy: 0.065 local terms energy: -446.779884 where: bonds (distance) C4'-P energy: -87.980 bonds (distance) P-C4' energy: -93.265 flat angles C4'-P-C4' energy: -101.395 flat angles P-C4'-P energy: -64.177 tors. eta vs tors. theta energy: -99.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1298.143188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.143188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.143188 (E_RNA) where: Base-Base interactions energy: -868.788 where: short stacking energy: -380.931 Base-Backbone interact. energy: 2.070 local terms energy: -431.425620 where: bonds (distance) C4'-P energy: -79.812 bonds (distance) P-C4' energy: -96.609 flat angles C4'-P-C4' energy: -97.949 flat angles P-C4'-P energy: -60.192 tors. eta vs tors. theta energy: -96.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -957.233725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.233725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.233725 (E_RNA) where: Base-Base interactions energy: -597.369 where: short stacking energy: -289.911 Base-Backbone interact. energy: -1.663 local terms energy: -358.201664 where: bonds (distance) C4'-P energy: -82.703 bonds (distance) P-C4' energy: -78.072 flat angles C4'-P-C4' energy: -84.717 flat angles P-C4'-P energy: -59.491 tors. eta vs tors. theta energy: -53.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -813.344656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.344656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.344656 (E_RNA) where: Base-Base interactions energy: -463.821 where: short stacking energy: -242.193 Base-Backbone interact. energy: -0.246 local terms energy: -349.277354 where: bonds (distance) C4'-P energy: -77.309 bonds (distance) P-C4' energy: -87.715 flat angles C4'-P-C4' energy: -79.104 flat angles P-C4'-P energy: -51.352 tors. eta vs tors. theta energy: -53.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -494.790335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.790335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.790335 (E_RNA) where: Base-Base interactions energy: -213.282 where: short stacking energy: -137.124 Base-Backbone interact. energy: 0.204 local terms energy: -281.712577 where: bonds (distance) C4'-P energy: -83.275 bonds (distance) P-C4' energy: -91.695 flat angles C4'-P-C4' energy: -65.894 flat angles P-C4'-P energy: -48.279 tors. eta vs tors. theta energy: 7.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -481.301789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.301789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.301789 (E_RNA) where: Base-Base interactions energy: -227.305 where: short stacking energy: -132.970 Base-Backbone interact. energy: 0.966 local terms energy: -254.962327 where: bonds (distance) C4'-P energy: -74.265 bonds (distance) P-C4' energy: -69.848 flat angles C4'-P-C4' energy: -69.404 flat angles P-C4'-P energy: -45.467 tors. eta vs tors. theta energy: 4.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1713.213445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.213445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.213445 (E_RNA) where: Base-Base interactions energy: -1185.913 where: short stacking energy: -522.838 Base-Backbone interact. energy: 1.549 local terms energy: -528.849168 where: bonds (distance) C4'-P energy: -95.202 bonds (distance) P-C4' energy: -93.238 flat angles C4'-P-C4' energy: -110.307 flat angles P-C4'-P energy: -75.519 tors. eta vs tors. theta energy: -154.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1619.398302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.398302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.398302 (E_RNA) where: Base-Base interactions energy: -1108.789 where: short stacking energy: -493.881 Base-Backbone interact. energy: -0.131 local terms energy: -510.478482 where: bonds (distance) C4'-P energy: -89.209 bonds (distance) P-C4' energy: -97.158 flat angles C4'-P-C4' energy: -106.614 flat angles P-C4'-P energy: -66.771 tors. eta vs tors. theta energy: -150.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1590.046124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.046124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.046124 (E_RNA) where: Base-Base interactions energy: -1082.927 where: short stacking energy: -470.899 Base-Backbone interact. energy: -0.690 local terms energy: -506.428966 where: bonds (distance) C4'-P energy: -96.114 bonds (distance) P-C4' energy: -100.234 flat angles C4'-P-C4' energy: -105.075 flat angles P-C4'-P energy: -66.945 tors. eta vs tors. theta energy: -138.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1534.323027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.323027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.323027 (E_RNA) where: Base-Base interactions energy: -1045.588 where: short stacking energy: -473.185 Base-Backbone interact. energy: -1.387 local terms energy: -487.347484 where: bonds (distance) C4'-P energy: -83.836 bonds (distance) P-C4' energy: -88.440 flat angles C4'-P-C4' energy: -99.487 flat angles P-C4'-P energy: -69.749 tors. eta vs tors. theta energy: -145.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1400.748661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.748661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.748661 (E_RNA) where: Base-Base interactions energy: -949.123 where: short stacking energy: -434.559 Base-Backbone interact. energy: -2.148 local terms energy: -449.477493 where: bonds (distance) C4'-P energy: -73.990 bonds (distance) P-C4' energy: -88.913 flat angles C4'-P-C4' energy: -92.316 flat angles P-C4'-P energy: -68.840 tors. eta vs tors. theta energy: -125.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1244.415245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.415245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.415245 (E_RNA) where: Base-Base interactions energy: -823.925 where: short stacking energy: -363.081 Base-Backbone interact. energy: -0.116 local terms energy: -420.375057 where: bonds (distance) C4'-P energy: -92.571 bonds (distance) P-C4' energy: -66.499 flat angles C4'-P-C4' energy: -98.724 flat angles P-C4'-P energy: -57.962 tors. eta vs tors. theta energy: -104.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1018.179793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.179793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.179793 (E_RNA) where: Base-Base interactions energy: -679.285 where: short stacking energy: -306.806 Base-Backbone interact. energy: 6.137 local terms energy: -345.031851 where: bonds (distance) C4'-P energy: -90.667 bonds (distance) P-C4' energy: -82.478 flat angles C4'-P-C4' energy: -70.396 flat angles P-C4'-P energy: -48.118 tors. eta vs tors. theta energy: -53.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -776.090747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.090747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.090747 (E_RNA) where: Base-Base interactions energy: -470.576 where: short stacking energy: -239.483 Base-Backbone interact. energy: -0.404 local terms energy: -305.110051 where: bonds (distance) C4'-P energy: -76.397 bonds (distance) P-C4' energy: -81.417 flat angles C4'-P-C4' energy: -77.239 flat angles P-C4'-P energy: -40.985 tors. eta vs tors. theta energy: -29.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -451.019524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.019524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.019524 (E_RNA) where: Base-Base interactions energy: -186.654 where: short stacking energy: -146.169 Base-Backbone interact. energy: -1.471 local terms energy: -262.894272 where: bonds (distance) C4'-P energy: -71.404 bonds (distance) P-C4' energy: -80.039 flat angles C4'-P-C4' energy: -59.537 flat angles P-C4'-P energy: -41.975 tors. eta vs tors. theta energy: -9.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -481.634244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.634244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.634244 (E_RNA) where: Base-Base interactions energy: -237.853 where: short stacking energy: -125.022 Base-Backbone interact. energy: -0.144 local terms energy: -243.636409 where: bonds (distance) C4'-P energy: -76.786 bonds (distance) P-C4' energy: -91.635 flat angles C4'-P-C4' energy: -58.493 flat angles P-C4'-P energy: -28.045 tors. eta vs tors. theta energy: 11.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1707.834607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.834607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.834607 (E_RNA) where: Base-Base interactions energy: -1184.238 where: short stacking energy: -502.242 Base-Backbone interact. energy: -0.775 local terms energy: -522.821582 where: bonds (distance) C4'-P energy: -96.093 bonds (distance) P-C4' energy: -97.024 flat angles C4'-P-C4' energy: -110.577 flat angles P-C4'-P energy: -66.127 tors. eta vs tors. theta energy: -153.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1632.542505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.542505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.542505 (E_RNA) where: Base-Base interactions energy: -1116.787 where: short stacking energy: -492.382 Base-Backbone interact. energy: -2.585 local terms energy: -513.170321 where: bonds (distance) C4'-P energy: -91.208 bonds (distance) P-C4' energy: -88.414 flat angles C4'-P-C4' energy: -108.380 flat angles P-C4'-P energy: -79.569 tors. eta vs tors. theta energy: -145.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1596.150311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.150311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.150311 (E_RNA) where: Base-Base interactions energy: -1105.606 where: short stacking energy: -462.685 Base-Backbone interact. energy: -1.475 local terms energy: -489.069764 where: bonds (distance) C4'-P energy: -100.786 bonds (distance) P-C4' energy: -93.840 flat angles C4'-P-C4' energy: -94.132 flat angles P-C4'-P energy: -61.547 tors. eta vs tors. theta energy: -138.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1537.033356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.033356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.033356 (E_RNA) where: Base-Base interactions energy: -1047.040 where: short stacking energy: -466.654 Base-Backbone interact. energy: -0.342 local terms energy: -489.650887 where: bonds (distance) C4'-P energy: -84.825 bonds (distance) P-C4' energy: -91.093 flat angles C4'-P-C4' energy: -99.083 flat angles P-C4'-P energy: -74.199 tors. eta vs tors. theta energy: -140.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1349.358191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.358191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.358191 (E_RNA) where: Base-Base interactions energy: -902.600 where: short stacking energy: -433.510 Base-Backbone interact. energy: 0.449 local terms energy: -447.207370 where: bonds (distance) C4'-P energy: -83.145 bonds (distance) P-C4' energy: -79.725 flat angles C4'-P-C4' energy: -104.692 flat angles P-C4'-P energy: -60.555 tors. eta vs tors. theta energy: -119.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1208.691559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.691559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.691559 (E_RNA) where: Base-Base interactions energy: -816.026 where: short stacking energy: -364.016 Base-Backbone interact. energy: -1.590 local terms energy: -391.075132 where: bonds (distance) C4'-P energy: -82.052 bonds (distance) P-C4' energy: -78.905 flat angles C4'-P-C4' energy: -88.966 flat angles P-C4'-P energy: -47.259 tors. eta vs tors. theta energy: -93.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1026.290643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.290643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.290643 (E_RNA) where: Base-Base interactions energy: -694.678 where: short stacking energy: -326.000 Base-Backbone interact. energy: -1.448 local terms energy: -330.164637 where: bonds (distance) C4'-P energy: -70.097 bonds (distance) P-C4' energy: -74.397 flat angles C4'-P-C4' energy: -87.691 flat angles P-C4'-P energy: -34.302 tors. eta vs tors. theta energy: -63.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -733.356070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.356070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.356070 (E_RNA) where: Base-Base interactions energy: -421.109 where: short stacking energy: -223.419 Base-Backbone interact. energy: -1.454 local terms energy: -310.792979 where: bonds (distance) C4'-P energy: -79.656 bonds (distance) P-C4' energy: -75.212 flat angles C4'-P-C4' energy: -75.991 flat angles P-C4'-P energy: -43.660 tors. eta vs tors. theta energy: -36.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -500.291595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.291595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.291595 (E_RNA) where: Base-Base interactions energy: -232.134 where: short stacking energy: -142.395 Base-Backbone interact. energy: 1.216 local terms energy: -269.373496 where: bonds (distance) C4'-P energy: -68.632 bonds (distance) P-C4' energy: -81.103 flat angles C4'-P-C4' energy: -79.986 flat angles P-C4'-P energy: -39.941 tors. eta vs tors. theta energy: 0.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -419.447860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.447860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.447860 (E_RNA) where: Base-Base interactions energy: -165.717 where: short stacking energy: -122.467 Base-Backbone interact. energy: -0.120 local terms energy: -253.610752 where: bonds (distance) C4'-P energy: -67.844 bonds (distance) P-C4' energy: -77.877 flat angles C4'-P-C4' energy: -65.915 flat angles P-C4'-P energy: -47.489 tors. eta vs tors. theta energy: 5.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1695.601300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.601300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.601300 (E_RNA) where: Base-Base interactions energy: -1147.946 where: short stacking energy: -502.689 Base-Backbone interact. energy: -0.588 local terms energy: -547.066775 where: bonds (distance) C4'-P energy: -97.966 bonds (distance) P-C4' energy: -96.455 flat angles C4'-P-C4' energy: -112.390 flat angles P-C4'-P energy: -76.876 tors. eta vs tors. theta energy: -163.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1641.700194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.700194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.700194 (E_RNA) where: Base-Base interactions energy: -1114.494 where: short stacking energy: -496.297 Base-Backbone interact. energy: -0.807 local terms energy: -526.399244 where: bonds (distance) C4'-P energy: -98.648 bonds (distance) P-C4' energy: -91.194 flat angles C4'-P-C4' energy: -108.490 flat angles P-C4'-P energy: -75.517 tors. eta vs tors. theta energy: -152.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1618.492330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.492330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.492330 (E_RNA) where: Base-Base interactions energy: -1132.846 where: short stacking energy: -471.984 Base-Backbone interact. energy: -1.332 local terms energy: -484.314627 where: bonds (distance) C4'-P energy: -76.260 bonds (distance) P-C4' energy: -90.135 flat angles C4'-P-C4' energy: -100.574 flat angles P-C4'-P energy: -75.011 tors. eta vs tors. theta energy: -142.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1527.438127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.438127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.438127 (E_RNA) where: Base-Base interactions energy: -1012.358 where: short stacking energy: -473.558 Base-Backbone interact. energy: 0.878 local terms energy: -515.957929 where: bonds (distance) C4'-P energy: -102.166 bonds (distance) P-C4' energy: -87.107 flat angles C4'-P-C4' energy: -105.685 flat angles P-C4'-P energy: -70.851 tors. eta vs tors. theta energy: -150.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1368.361277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.361277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.361277 (E_RNA) where: Base-Base interactions energy: -938.147 where: short stacking energy: -409.237 Base-Backbone interact. energy: -0.905 local terms energy: -429.309362 where: bonds (distance) C4'-P energy: -80.241 bonds (distance) P-C4' energy: -94.817 flat angles C4'-P-C4' energy: -87.860 flat angles P-C4'-P energy: -57.261 tors. eta vs tors. theta energy: -109.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1256.574415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.574415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.574415 (E_RNA) where: Base-Base interactions energy: -864.400 where: short stacking energy: -359.869 Base-Backbone interact. energy: -1.217 local terms energy: -390.957605 where: bonds (distance) C4'-P energy: -56.229 bonds (distance) P-C4' energy: -83.677 flat angles C4'-P-C4' energy: -91.841 flat angles P-C4'-P energy: -49.268 tors. eta vs tors. theta energy: -109.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1076.731274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.731274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.731274 (E_RNA) where: Base-Base interactions energy: -687.016 where: short stacking energy: -307.520 Base-Backbone interact. energy: -1.671 local terms energy: -388.044241 where: bonds (distance) C4'-P energy: -74.133 bonds (distance) P-C4' energy: -73.331 flat angles C4'-P-C4' energy: -94.114 flat angles P-C4'-P energy: -72.983 tors. eta vs tors. theta energy: -73.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -765.635658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.635658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.635658 (E_RNA) where: Base-Base interactions energy: -427.545 where: short stacking energy: -220.432 Base-Backbone interact. energy: -0.636 local terms energy: -337.454583 where: bonds (distance) C4'-P energy: -83.848 bonds (distance) P-C4' energy: -80.330 flat angles C4'-P-C4' energy: -79.858 flat angles P-C4'-P energy: -48.016 tors. eta vs tors. theta energy: -45.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -507.909411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.909411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.909411 (E_RNA) where: Base-Base interactions energy: -237.356 where: short stacking energy: -143.089 Base-Backbone interact. energy: 7.096 local terms energy: -277.649570 where: bonds (distance) C4'-P energy: -81.721 bonds (distance) P-C4' energy: -80.839 flat angles C4'-P-C4' energy: -76.036 flat angles P-C4'-P energy: -39.044 tors. eta vs tors. theta energy: -0.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -384.161144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.161144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.161144 (E_RNA) where: Base-Base interactions energy: -117.166 where: short stacking energy: -104.353 Base-Backbone interact. energy: -2.181 local terms energy: -264.814906 where: bonds (distance) C4'-P energy: -91.567 bonds (distance) P-C4' energy: -86.111 flat angles C4'-P-C4' energy: -71.969 flat angles P-C4'-P energy: -34.431 tors. eta vs tors. theta energy: 19.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1725.290588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.290588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.290588 (E_RNA) where: Base-Base interactions energy: -1171.202 where: short stacking energy: -512.117 Base-Backbone interact. energy: -1.416 local terms energy: -552.672435 where: bonds (distance) C4'-P energy: -99.886 bonds (distance) P-C4' energy: -93.217 flat angles C4'-P-C4' energy: -115.538 flat angles P-C4'-P energy: -86.635 tors. eta vs tors. theta energy: -157.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1627.358875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.358875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.358875 (E_RNA) where: Base-Base interactions energy: -1112.384 where: short stacking energy: -489.537 Base-Backbone interact. energy: -4.333 local terms energy: -510.641856 where: bonds (distance) C4'-P energy: -93.254 bonds (distance) P-C4' energy: -97.060 flat angles C4'-P-C4' energy: -113.399 flat angles P-C4'-P energy: -62.378 tors. eta vs tors. theta energy: -144.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1590.154161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.154161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.154161 (E_RNA) where: Base-Base interactions energy: -1087.786 where: short stacking energy: -468.941 Base-Backbone interact. energy: 0.169 local terms energy: -502.536918 where: bonds (distance) C4'-P energy: -73.079 bonds (distance) P-C4' energy: -96.790 flat angles C4'-P-C4' energy: -110.584 flat angles P-C4'-P energy: -67.342 tors. eta vs tors. theta energy: -154.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1514.420855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.420855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.420855 (E_RNA) where: Base-Base interactions energy: -1024.948 where: short stacking energy: -465.024 Base-Backbone interact. energy: -2.843 local terms energy: -486.630095 where: bonds (distance) C4'-P energy: -98.278 bonds (distance) P-C4' energy: -88.753 flat angles C4'-P-C4' energy: -95.395 flat angles P-C4'-P energy: -59.283 tors. eta vs tors. theta energy: -144.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1379.904678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.904678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.904678 (E_RNA) where: Base-Base interactions energy: -928.122 where: short stacking energy: -384.327 Base-Backbone interact. energy: -2.213 local terms energy: -449.569357 where: bonds (distance) C4'-P energy: -87.343 bonds (distance) P-C4' energy: -101.916 flat angles C4'-P-C4' energy: -89.697 flat angles P-C4'-P energy: -60.007 tors. eta vs tors. theta energy: -110.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1260.388987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.388987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.388987 (E_RNA) where: Base-Base interactions energy: -847.692 where: short stacking energy: -352.609 Base-Backbone interact. energy: -1.094 local terms energy: -411.603124 where: bonds (distance) C4'-P energy: -80.227 bonds (distance) P-C4' energy: -94.157 flat angles C4'-P-C4' energy: -91.292 flat angles P-C4'-P energy: -53.233 tors. eta vs tors. theta energy: -92.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1066.815537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.815537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.815537 (E_RNA) where: Base-Base interactions energy: -708.599 where: short stacking energy: -326.131 Base-Backbone interact. energy: 1.420 local terms energy: -359.636350 where: bonds (distance) C4'-P energy: -77.663 bonds (distance) P-C4' energy: -78.868 flat angles C4'-P-C4' energy: -85.553 flat angles P-C4'-P energy: -47.078 tors. eta vs tors. theta energy: -70.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -831.108348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.108348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.108348 (E_RNA) where: Base-Base interactions energy: -519.697 where: short stacking energy: -256.329 Base-Backbone interact. energy: -1.073 local terms energy: -310.338463 where: bonds (distance) C4'-P energy: -65.845 bonds (distance) P-C4' energy: -74.879 flat angles C4'-P-C4' energy: -76.058 flat angles P-C4'-P energy: -41.292 tors. eta vs tors. theta energy: -52.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -497.240328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.240328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.240328 (E_RNA) where: Base-Base interactions energy: -268.834 where: short stacking energy: -144.401 Base-Backbone interact. energy: 5.016 local terms energy: -233.422329 where: bonds (distance) C4'-P energy: -67.133 bonds (distance) P-C4' energy: -77.265 flat angles C4'-P-C4' energy: -57.741 flat angles P-C4'-P energy: -43.956 tors. eta vs tors. theta energy: 12.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -405.614012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.614012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.614012 (E_RNA) where: Base-Base interactions energy: -174.430 where: short stacking energy: -117.995 Base-Backbone interact. energy: -2.326 local terms energy: -228.857970 where: bonds (distance) C4'-P energy: -78.856 bonds (distance) P-C4' energy: -66.940 flat angles C4'-P-C4' energy: -55.311 flat angles P-C4'-P energy: -46.565 tors. eta vs tors. theta energy: 18.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1707.376199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.376199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.376199 (E_RNA) where: Base-Base interactions energy: -1184.748 where: short stacking energy: -528.596 Base-Backbone interact. energy: 0.208 local terms energy: -522.836763 where: bonds (distance) C4'-P energy: -94.847 bonds (distance) P-C4' energy: -97.335 flat angles C4'-P-C4' energy: -102.964 flat angles P-C4'-P energy: -68.740 tors. eta vs tors. theta energy: -158.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1639.228869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.228869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.228869 (E_RNA) where: Base-Base interactions energy: -1125.716 where: short stacking energy: -477.253 Base-Backbone interact. energy: -2.184 local terms energy: -511.328975 where: bonds (distance) C4'-P energy: -77.106 bonds (distance) P-C4' energy: -89.902 flat angles C4'-P-C4' energy: -113.585 flat angles P-C4'-P energy: -78.038 tors. eta vs tors. theta energy: -152.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1590.541001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.541001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.541001 (E_RNA) where: Base-Base interactions energy: -1086.355 where: short stacking energy: -470.095 Base-Backbone interact. energy: 1.340 local terms energy: -505.525740 where: bonds (distance) C4'-P energy: -87.776 bonds (distance) P-C4' energy: -91.936 flat angles C4'-P-C4' energy: -104.523 flat angles P-C4'-P energy: -67.388 tors. eta vs tors. theta energy: -153.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1511.112280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.112280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.112280 (E_RNA) where: Base-Base interactions energy: -1011.594 where: short stacking energy: -474.609 Base-Backbone interact. energy: -0.834 local terms energy: -498.684161 where: bonds (distance) C4'-P energy: -84.063 bonds (distance) P-C4' energy: -85.015 flat angles C4'-P-C4' energy: -106.430 flat angles P-C4'-P energy: -78.635 tors. eta vs tors. theta energy: -144.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1349.375635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.375635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.375635 (E_RNA) where: Base-Base interactions energy: -927.015 where: short stacking energy: -395.220 Base-Backbone interact. energy: -1.592 local terms energy: -420.768700 where: bonds (distance) C4'-P energy: -70.360 bonds (distance) P-C4' energy: -90.643 flat angles C4'-P-C4' energy: -95.674 flat angles P-C4'-P energy: -55.983 tors. eta vs tors. theta energy: -108.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -1252.591183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.591183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.591183 (E_RNA) where: Base-Base interactions energy: -842.123 where: short stacking energy: -376.241 Base-Backbone interact. energy: -0.964 local terms energy: -409.503706 where: bonds (distance) C4'-P energy: -77.750 bonds (distance) P-C4' energy: -70.695 flat angles C4'-P-C4' energy: -89.639 flat angles P-C4'-P energy: -65.239 tors. eta vs tors. theta energy: -106.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1029.058868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.058868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.058868 (E_RNA) where: Base-Base interactions energy: -687.198 where: short stacking energy: -306.043 Base-Backbone interact. energy: -0.267 local terms energy: -341.594619 where: bonds (distance) C4'-P energy: -83.678 bonds (distance) P-C4' energy: -71.459 flat angles C4'-P-C4' energy: -82.340 flat angles P-C4'-P energy: -53.540 tors. eta vs tors. theta energy: -50.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -784.222378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.222378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.222378 (E_RNA) where: Base-Base interactions energy: -472.570 where: short stacking energy: -234.700 Base-Backbone interact. energy: -0.066 local terms energy: -311.586043 where: bonds (distance) C4'-P energy: -69.138 bonds (distance) P-C4' energy: -87.685 flat angles C4'-P-C4' energy: -72.567 flat angles P-C4'-P energy: -40.025 tors. eta vs tors. theta energy: -42.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -510.406436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.406436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.406436 (E_RNA) where: Base-Base interactions energy: -223.874 where: short stacking energy: -134.471 Base-Backbone interact. energy: 0.611 local terms energy: -287.143476 where: bonds (distance) C4'-P energy: -78.945 bonds (distance) P-C4' energy: -85.233 flat angles C4'-P-C4' energy: -80.566 flat angles P-C4'-P energy: -52.711 tors. eta vs tors. theta energy: 10.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -383.785091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.785091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.785091 (E_RNA) where: Base-Base interactions energy: -123.516 where: short stacking energy: -106.115 Base-Backbone interact. energy: 3.714 local terms energy: -263.982879 where: bonds (distance) C4'-P energy: -68.805 bonds (distance) P-C4' energy: -91.860 flat angles C4'-P-C4' energy: -72.563 flat angles P-C4'-P energy: -39.859 tors. eta vs tors. theta energy: 9.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1722.240564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.240564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.240564 (E_RNA) where: Base-Base interactions energy: -1181.054 where: short stacking energy: -504.055 Base-Backbone interact. energy: -1.811 local terms energy: -539.375285 where: bonds (distance) C4'-P energy: -88.437 bonds (distance) P-C4' energy: -100.424 flat angles C4'-P-C4' energy: -109.427 flat angles P-C4'-P energy: -75.989 tors. eta vs tors. theta energy: -165.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1636.562090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.562090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.562090 (E_RNA) where: Base-Base interactions energy: -1130.634 where: short stacking energy: -477.286 Base-Backbone interact. energy: -1.197 local terms energy: -504.731508 where: bonds (distance) C4'-P energy: -90.032 bonds (distance) P-C4' energy: -92.339 flat angles C4'-P-C4' energy: -105.451 flat angles P-C4'-P energy: -64.597 tors. eta vs tors. theta energy: -152.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1571.912632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.912632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.912632 (E_RNA) where: Base-Base interactions energy: -1075.459 where: short stacking energy: -456.052 Base-Backbone interact. energy: 1.707 local terms energy: -498.160275 where: bonds (distance) C4'-P energy: -84.091 bonds (distance) P-C4' energy: -85.076 flat angles C4'-P-C4' energy: -113.381 flat angles P-C4'-P energy: -80.414 tors. eta vs tors. theta energy: -135.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1506.083935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.083935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.083935 (E_RNA) where: Base-Base interactions energy: -1011.509 where: short stacking energy: -475.240 Base-Backbone interact. energy: -1.359 local terms energy: -493.215453 where: bonds (distance) C4'-P energy: -80.882 bonds (distance) P-C4' energy: -87.964 flat angles C4'-P-C4' energy: -103.201 flat angles P-C4'-P energy: -70.024 tors. eta vs tors. theta energy: -151.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1349.841986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.841986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.841986 (E_RNA) where: Base-Base interactions energy: -912.947 where: short stacking energy: -385.757 Base-Backbone interact. energy: -0.941 local terms energy: -435.953356 where: bonds (distance) C4'-P energy: -77.574 bonds (distance) P-C4' energy: -83.647 flat angles C4'-P-C4' energy: -98.700 flat angles P-C4'-P energy: -60.525 tors. eta vs tors. theta energy: -115.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1238.650802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.650802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.650802 (E_RNA) where: Base-Base interactions energy: -807.895 where: short stacking energy: -383.529 Base-Backbone interact. energy: 0.214 local terms energy: -430.969867 where: bonds (distance) C4'-P energy: -81.782 bonds (distance) P-C4' energy: -83.602 flat angles C4'-P-C4' energy: -100.816 flat angles P-C4'-P energy: -49.567 tors. eta vs tors. theta energy: -115.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1081.546974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.546974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.546974 (E_RNA) where: Base-Base interactions energy: -712.166 where: short stacking energy: -331.727 Base-Backbone interact. energy: -0.050 local terms energy: -369.330519 where: bonds (distance) C4'-P energy: -74.711 bonds (distance) P-C4' energy: -89.995 flat angles C4'-P-C4' energy: -77.997 flat angles P-C4'-P energy: -43.698 tors. eta vs tors. theta energy: -82.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -850.741493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.741493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.741493 (E_RNA) where: Base-Base interactions energy: -502.127 where: short stacking energy: -260.597 Base-Backbone interact. energy: -2.345 local terms energy: -346.268986 where: bonds (distance) C4'-P energy: -86.548 bonds (distance) P-C4' energy: -80.091 flat angles C4'-P-C4' energy: -79.339 flat angles P-C4'-P energy: -48.091 tors. eta vs tors. theta energy: -52.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -497.626642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.626642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.626642 (E_RNA) where: Base-Base interactions energy: -219.922 where: short stacking energy: -147.897 Base-Backbone interact. energy: -1.489 local terms energy: -276.215467 where: bonds (distance) C4'-P energy: -80.490 bonds (distance) P-C4' energy: -64.759 flat angles C4'-P-C4' energy: -75.994 flat angles P-C4'-P energy: -53.610 tors. eta vs tors. theta energy: -1.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -418.366604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.366604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.366604 (E_RNA) where: Base-Base interactions energy: -172.151 where: short stacking energy: -114.858 Base-Backbone interact. energy: 4.161 local terms energy: -250.377350 where: bonds (distance) C4'-P energy: -96.225 bonds (distance) P-C4' energy: -84.381 flat angles C4'-P-C4' energy: -57.061 flat angles P-C4'-P energy: -27.565 tors. eta vs tors. theta energy: 14.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1712.783871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.783871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.783871 (E_RNA) where: Base-Base interactions energy: -1179.763 where: short stacking energy: -522.426 Base-Backbone interact. energy: -1.324 local terms energy: -531.696965 where: bonds (distance) C4'-P energy: -91.290 bonds (distance) P-C4' energy: -95.958 flat angles C4'-P-C4' energy: -107.517 flat angles P-C4'-P energy: -78.245 tors. eta vs tors. theta energy: -158.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1609.957503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.957503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.957503 (E_RNA) where: Base-Base interactions energy: -1114.002 where: short stacking energy: -483.042 Base-Backbone interact. energy: -0.548 local terms energy: -495.407098 where: bonds (distance) C4'-P energy: -77.301 bonds (distance) P-C4' energy: -92.946 flat angles C4'-P-C4' energy: -100.259 flat angles P-C4'-P energy: -68.123 tors. eta vs tors. theta energy: -156.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1590.276284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.276284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.276284 (E_RNA) where: Base-Base interactions energy: -1069.059 where: short stacking energy: -468.187 Base-Backbone interact. energy: -2.620 local terms energy: -518.596985 where: bonds (distance) C4'-P energy: -83.308 bonds (distance) P-C4' energy: -98.245 flat angles C4'-P-C4' energy: -110.868 flat angles P-C4'-P energy: -73.743 tors. eta vs tors. theta energy: -152.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1484.804113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.804113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.804113 (E_RNA) where: Base-Base interactions energy: -986.436 where: short stacking energy: -463.915 Base-Backbone interact. energy: -1.722 local terms energy: -496.646099 where: bonds (distance) C4'-P energy: -88.783 bonds (distance) P-C4' energy: -99.273 flat angles C4'-P-C4' energy: -93.255 flat angles P-C4'-P energy: -68.067 tors. eta vs tors. theta energy: -147.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1359.413485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.413485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.413485 (E_RNA) where: Base-Base interactions energy: -938.637 where: short stacking energy: -406.293 Base-Backbone interact. energy: -3.017 local terms energy: -417.759838 where: bonds (distance) C4'-P energy: -70.146 bonds (distance) P-C4' energy: -88.516 flat angles C4'-P-C4' energy: -84.861 flat angles P-C4'-P energy: -64.448 tors. eta vs tors. theta energy: -109.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1251.881987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.881987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.881987 (E_RNA) where: Base-Base interactions energy: -816.362 where: short stacking energy: -372.406 Base-Backbone interact. energy: 0.861 local terms energy: -436.381065 where: bonds (distance) C4'-P energy: -87.701 bonds (distance) P-C4' energy: -93.221 flat angles C4'-P-C4' energy: -96.161 flat angles P-C4'-P energy: -50.630 tors. eta vs tors. theta energy: -108.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1055.778803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.778803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.778803 (E_RNA) where: Base-Base interactions energy: -671.414 where: short stacking energy: -293.286 Base-Backbone interact. energy: -0.320 local terms energy: -384.044625 where: bonds (distance) C4'-P energy: -77.364 bonds (distance) P-C4' energy: -81.141 flat angles C4'-P-C4' energy: -88.654 flat angles P-C4'-P energy: -67.263 tors. eta vs tors. theta energy: -69.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -837.779912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.779912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.779912 (E_RNA) where: Base-Base interactions energy: -531.004 where: short stacking energy: -251.231 Base-Backbone interact. energy: 2.070 local terms energy: -308.846778 where: bonds (distance) C4'-P energy: -76.230 bonds (distance) P-C4' energy: -72.901 flat angles C4'-P-C4' energy: -70.108 flat angles P-C4'-P energy: -39.512 tors. eta vs tors. theta energy: -50.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -595.598897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.598897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.598897 (E_RNA) where: Base-Base interactions energy: -313.093 where: short stacking energy: -154.370 Base-Backbone interact. energy: -1.324 local terms energy: -281.181343 where: bonds (distance) C4'-P energy: -88.528 bonds (distance) P-C4' energy: -73.540 flat angles C4'-P-C4' energy: -79.540 flat angles P-C4'-P energy: -40.390 tors. eta vs tors. theta energy: 0.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -433.662359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.662359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.662359 (E_RNA) where: Base-Base interactions energy: -164.850 where: short stacking energy: -119.837 Base-Backbone interact. energy: 5.584 local terms energy: -274.396271 where: bonds (distance) C4'-P energy: -80.257 bonds (distance) P-C4' energy: -83.142 flat angles C4'-P-C4' energy: -82.525 flat angles P-C4'-P energy: -41.298 tors. eta vs tors. theta energy: 12.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1721.414345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.414345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.414345 (E_RNA) where: Base-Base interactions energy: -1172.702 where: short stacking energy: -510.576 Base-Backbone interact. energy: -2.440 local terms energy: -546.272228 where: bonds (distance) C4'-P energy: -103.073 bonds (distance) P-C4' energy: -100.465 flat angles C4'-P-C4' energy: -111.242 flat angles P-C4'-P energy: -76.969 tors. eta vs tors. theta energy: -154.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1633.705383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.705383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.705383 (E_RNA) where: Base-Base interactions energy: -1131.523 where: short stacking energy: -486.613 Base-Backbone interact. energy: -2.064 local terms energy: -500.118214 where: bonds (distance) C4'-P energy: -95.233 bonds (distance) P-C4' energy: -96.151 flat angles C4'-P-C4' energy: -97.556 flat angles P-C4'-P energy: -73.996 tors. eta vs tors. theta energy: -137.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1577.988059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.988059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.988059 (E_RNA) where: Base-Base interactions energy: -1066.832 where: short stacking energy: -473.912 Base-Backbone interact. energy: -2.413 local terms energy: -508.742478 where: bonds (distance) C4'-P energy: -97.924 bonds (distance) P-C4' energy: -88.456 flat angles C4'-P-C4' energy: -104.732 flat angles P-C4'-P energy: -61.476 tors. eta vs tors. theta energy: -156.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1510.577575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.577575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.577575 (E_RNA) where: Base-Base interactions energy: -1029.038 where: short stacking energy: -483.889 Base-Backbone interact. energy: -6.291 local terms energy: -475.249459 where: bonds (distance) C4'-P energy: -82.419 bonds (distance) P-C4' energy: -76.590 flat angles C4'-P-C4' energy: -102.366 flat angles P-C4'-P energy: -70.427 tors. eta vs tors. theta energy: -143.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1322.481837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.481837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.481837 (E_RNA) where: Base-Base interactions energy: -908.806 where: short stacking energy: -391.412 Base-Backbone interact. energy: -1.897 local terms energy: -411.779284 where: bonds (distance) C4'-P energy: -73.262 bonds (distance) P-C4' energy: -79.606 flat angles C4'-P-C4' energy: -102.377 flat angles P-C4'-P energy: -52.328 tors. eta vs tors. theta energy: -104.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1231.656992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.656992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.656992 (E_RNA) where: Base-Base interactions energy: -813.866 where: short stacking energy: -389.728 Base-Backbone interact. energy: -0.916 local terms energy: -416.874918 where: bonds (distance) C4'-P energy: -75.122 bonds (distance) P-C4' energy: -89.494 flat angles C4'-P-C4' energy: -84.010 flat angles P-C4'-P energy: -55.638 tors. eta vs tors. theta energy: -112.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1019.564233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.564233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.564233 (E_RNA) where: Base-Base interactions energy: -640.673 where: short stacking energy: -309.023 Base-Backbone interact. energy: 0.521 local terms energy: -379.412468 where: bonds (distance) C4'-P energy: -85.232 bonds (distance) P-C4' energy: -72.758 flat angles C4'-P-C4' energy: -88.203 flat angles P-C4'-P energy: -55.916 tors. eta vs tors. theta energy: -77.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -809.781925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.781925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.781925 (E_RNA) where: Base-Base interactions energy: -499.754 where: short stacking energy: -237.783 Base-Backbone interact. energy: -0.473 local terms energy: -309.554646 where: bonds (distance) C4'-P energy: -75.235 bonds (distance) P-C4' energy: -77.196 flat angles C4'-P-C4' energy: -75.630 flat angles P-C4'-P energy: -34.154 tors. eta vs tors. theta energy: -47.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -566.309636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.309636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.309636 (E_RNA) where: Base-Base interactions energy: -276.600 where: short stacking energy: -168.062 Base-Backbone interact. energy: 0.302 local terms energy: -290.011606 where: bonds (distance) C4'-P energy: -69.862 bonds (distance) P-C4' energy: -89.163 flat angles C4'-P-C4' energy: -62.440 flat angles P-C4'-P energy: -44.787 tors. eta vs tors. theta energy: -23.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -384.553697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.553697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.553697 (E_RNA) where: Base-Base interactions energy: -135.974 where: short stacking energy: -112.853 Base-Backbone interact. energy: -0.429 local terms energy: -248.151023 where: bonds (distance) C4'-P energy: -64.018 bonds (distance) P-C4' energy: -76.525 flat angles C4'-P-C4' energy: -80.050 flat angles P-C4'-P energy: -33.600 tors. eta vs tors. theta energy: 6.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1717.950291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.950291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.950291 (E_RNA) where: Base-Base interactions energy: -1177.028 where: short stacking energy: -512.843 Base-Backbone interact. energy: -2.612 local terms energy: -538.310290 where: bonds (distance) C4'-P energy: -88.190 bonds (distance) P-C4' energy: -104.463 flat angles C4'-P-C4' energy: -109.714 flat angles P-C4'-P energy: -74.427 tors. eta vs tors. theta energy: -161.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1639.065996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.065996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.065996 (E_RNA) where: Base-Base interactions energy: -1134.653 where: short stacking energy: -469.400 Base-Backbone interact. energy: -1.580 local terms energy: -502.833481 where: bonds (distance) C4'-P energy: -91.808 bonds (distance) P-C4' energy: -89.068 flat angles C4'-P-C4' energy: -116.382 flat angles P-C4'-P energy: -66.608 tors. eta vs tors. theta energy: -138.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1562.688324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.688324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.688324 (E_RNA) where: Base-Base interactions energy: -1078.547 where: short stacking energy: -472.554 Base-Backbone interact. energy: -2.647 local terms energy: -481.494338 where: bonds (distance) C4'-P energy: -93.980 bonds (distance) P-C4' energy: -91.924 flat angles C4'-P-C4' energy: -93.833 flat angles P-C4'-P energy: -63.525 tors. eta vs tors. theta energy: -138.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1520.497923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.497923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.497923 (E_RNA) where: Base-Base interactions energy: -1035.279 where: short stacking energy: -473.460 Base-Backbone interact. energy: 0.281 local terms energy: -485.499361 where: bonds (distance) C4'-P energy: -88.633 bonds (distance) P-C4' energy: -79.366 flat angles C4'-P-C4' energy: -101.066 flat angles P-C4'-P energy: -62.606 tors. eta vs tors. theta energy: -153.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1327.955119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.955119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.955119 (E_RNA) where: Base-Base interactions energy: -910.866 where: short stacking energy: -387.044 Base-Backbone interact. energy: -2.048 local terms energy: -415.041916 where: bonds (distance) C4'-P energy: -79.190 bonds (distance) P-C4' energy: -80.034 flat angles C4'-P-C4' energy: -99.250 flat angles P-C4'-P energy: -59.077 tors. eta vs tors. theta energy: -97.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1203.707610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.707610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.707610 (E_RNA) where: Base-Base interactions energy: -797.719 where: short stacking energy: -356.952 Base-Backbone interact. energy: -1.179 local terms energy: -404.809196 where: bonds (distance) C4'-P energy: -85.078 bonds (distance) P-C4' energy: -83.940 flat angles C4'-P-C4' energy: -82.938 flat angles P-C4'-P energy: -50.919 tors. eta vs tors. theta energy: -101.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1028.406007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.406007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.406007 (E_RNA) where: Base-Base interactions energy: -674.135 where: short stacking energy: -304.730 Base-Backbone interact. energy: -1.977 local terms energy: -352.294238 where: bonds (distance) C4'-P energy: -80.246 bonds (distance) P-C4' energy: -67.038 flat angles C4'-P-C4' energy: -82.979 flat angles P-C4'-P energy: -59.591 tors. eta vs tors. theta energy: -62.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -811.568055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.568055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.568055 (E_RNA) where: Base-Base interactions energy: -483.584 where: short stacking energy: -230.965 Base-Backbone interact. energy: -0.748 local terms energy: -327.236397 where: bonds (distance) C4'-P energy: -75.814 bonds (distance) P-C4' energy: -85.609 flat angles C4'-P-C4' energy: -80.496 flat angles P-C4'-P energy: -48.956 tors. eta vs tors. theta energy: -36.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -592.079668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.079668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.079668 (E_RNA) where: Base-Base interactions energy: -309.910 where: short stacking energy: -190.378 Base-Backbone interact. energy: -1.830 local terms energy: -280.340257 where: bonds (distance) C4'-P energy: -70.725 bonds (distance) P-C4' energy: -90.750 flat angles C4'-P-C4' energy: -61.789 flat angles P-C4'-P energy: -27.930 tors. eta vs tors. theta energy: -29.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -404.244766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.244766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.244766 (E_RNA) where: Base-Base interactions energy: -154.811 where: short stacking energy: -91.746 Base-Backbone interact. energy: 0.112 local terms energy: -249.545751 where: bonds (distance) C4'-P energy: -72.136 bonds (distance) P-C4' energy: -84.874 flat angles C4'-P-C4' energy: -66.833 flat angles P-C4'-P energy: -47.154 tors. eta vs tors. theta energy: 21.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1724.550314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.550314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.550314 (E_RNA) where: Base-Base interactions energy: -1186.188 where: short stacking energy: -521.545 Base-Backbone interact. energy: -0.905 local terms energy: -537.457798 where: bonds (distance) C4'-P energy: -97.132 bonds (distance) P-C4' energy: -91.226 flat angles C4'-P-C4' energy: -110.673 flat angles P-C4'-P energy: -71.033 tors. eta vs tors. theta energy: -167.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1628.494367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.494367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.494367 (E_RNA) where: Base-Base interactions energy: -1122.569 where: short stacking energy: -478.870 Base-Backbone interact. energy: -1.144 local terms energy: -504.781614 where: bonds (distance) C4'-P energy: -90.267 bonds (distance) P-C4' energy: -94.916 flat angles C4'-P-C4' energy: -101.294 flat angles P-C4'-P energy: -70.411 tors. eta vs tors. theta energy: -147.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1593.969389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.969389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.969389 (E_RNA) where: Base-Base interactions energy: -1084.051 where: short stacking energy: -444.011 Base-Backbone interact. energy: -1.298 local terms energy: -508.620598 where: bonds (distance) C4'-P energy: -95.553 bonds (distance) P-C4' energy: -98.706 flat angles C4'-P-C4' energy: -108.937 flat angles P-C4'-P energy: -69.128 tors. eta vs tors. theta energy: -136.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1507.921853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.921853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.921853 (E_RNA) where: Base-Base interactions energy: -1024.195 where: short stacking energy: -478.786 Base-Backbone interact. energy: -2.675 local terms energy: -481.052045 where: bonds (distance) C4'-P energy: -65.666 bonds (distance) P-C4' energy: -88.661 flat angles C4'-P-C4' energy: -110.353 flat angles P-C4'-P energy: -73.198 tors. eta vs tors. theta energy: -143.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1391.475574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.475574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.475574 (E_RNA) where: Base-Base interactions energy: -942.035 where: short stacking energy: -428.347 Base-Backbone interact. energy: 0.817 local terms energy: -450.258119 where: bonds (distance) C4'-P energy: -86.334 bonds (distance) P-C4' energy: -78.184 flat angles C4'-P-C4' energy: -96.123 flat angles P-C4'-P energy: -69.133 tors. eta vs tors. theta energy: -120.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1262.310738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.310738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.310738 (E_RNA) where: Base-Base interactions energy: -810.061 where: short stacking energy: -385.659 Base-Backbone interact. energy: -1.363 local terms energy: -450.886560 where: bonds (distance) C4'-P energy: -83.856 bonds (distance) P-C4' energy: -92.094 flat angles C4'-P-C4' energy: -99.492 flat angles P-C4'-P energy: -61.712 tors. eta vs tors. theta energy: -113.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1073.134211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.134211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.134211 (E_RNA) where: Base-Base interactions energy: -702.882 where: short stacking energy: -313.735 Base-Backbone interact. energy: 0.887 local terms energy: -371.139524 where: bonds (distance) C4'-P energy: -83.561 bonds (distance) P-C4' energy: -85.228 flat angles C4'-P-C4' energy: -69.824 flat angles P-C4'-P energy: -52.004 tors. eta vs tors. theta energy: -80.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -824.945929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.945929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.945929 (E_RNA) where: Base-Base interactions energy: -497.423 where: short stacking energy: -243.591 Base-Backbone interact. energy: -1.387 local terms energy: -326.136141 where: bonds (distance) C4'-P energy: -67.622 bonds (distance) P-C4' energy: -75.336 flat angles C4'-P-C4' energy: -95.729 flat angles P-C4'-P energy: -44.550 tors. eta vs tors. theta energy: -42.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -530.140533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.140533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.140533 (E_RNA) where: Base-Base interactions energy: -267.494 where: short stacking energy: -140.896 Base-Backbone interact. energy: -2.890 local terms energy: -259.756668 where: bonds (distance) C4'-P energy: -79.311 bonds (distance) P-C4' energy: -81.068 flat angles C4'-P-C4' energy: -66.408 flat angles P-C4'-P energy: -31.161 tors. eta vs tors. theta energy: -1.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -429.247930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.247930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.247930 (E_RNA) where: Base-Base interactions energy: -168.335 where: short stacking energy: -120.244 Base-Backbone interact. energy: -1.740 local terms energy: -259.172855 where: bonds (distance) C4'-P energy: -77.807 bonds (distance) P-C4' energy: -75.708 flat angles C4'-P-C4' energy: -68.387 flat angles P-C4'-P energy: -52.400 tors. eta vs tors. theta energy: 15.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1717.376209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.376209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.376209 (E_RNA) where: Base-Base interactions energy: -1177.398 where: short stacking energy: -497.903 Base-Backbone interact. energy: -1.475 local terms energy: -538.503631 where: bonds (distance) C4'-P energy: -103.032 bonds (distance) P-C4' energy: -89.983 flat angles C4'-P-C4' energy: -112.644 flat angles P-C4'-P energy: -75.482 tors. eta vs tors. theta energy: -157.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1637.784559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.784559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.784559 (E_RNA) where: Base-Base interactions energy: -1134.794 where: short stacking energy: -492.573 Base-Backbone interact. energy: -1.580 local terms energy: -501.409671 where: bonds (distance) C4'-P energy: -85.565 bonds (distance) P-C4' energy: -98.828 flat angles C4'-P-C4' energy: -103.733 flat angles P-C4'-P energy: -61.916 tors. eta vs tors. theta energy: -151.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1566.715213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.715213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.715213 (E_RNA) where: Base-Base interactions energy: -1061.075 where: short stacking energy: -462.777 Base-Backbone interact. energy: -0.066 local terms energy: -505.575027 where: bonds (distance) C4'-P energy: -84.008 bonds (distance) P-C4' energy: -93.158 flat angles C4'-P-C4' energy: -111.144 flat angles P-C4'-P energy: -73.031 tors. eta vs tors. theta energy: -144.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1509.395544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.395544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.395544 (E_RNA) where: Base-Base interactions energy: -1025.171 where: short stacking energy: -478.769 Base-Backbone interact. energy: -1.156 local terms energy: -483.069212 where: bonds (distance) C4'-P energy: -83.629 bonds (distance) P-C4' energy: -87.126 flat angles C4'-P-C4' energy: -97.512 flat angles P-C4'-P energy: -73.500 tors. eta vs tors. theta energy: -141.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1370.183277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.183277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.183277 (E_RNA) where: Base-Base interactions energy: -937.613 where: short stacking energy: -410.627 Base-Backbone interact. energy: -0.459 local terms energy: -432.111194 where: bonds (distance) C4'-P energy: -71.924 bonds (distance) P-C4' energy: -85.110 flat angles C4'-P-C4' energy: -95.587 flat angles P-C4'-P energy: -61.771 tors. eta vs tors. theta energy: -117.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1215.891275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.891275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.891275 (E_RNA) where: Base-Base interactions energy: -805.697 where: short stacking energy: -360.403 Base-Backbone interact. energy: -3.864 local terms energy: -406.330167 where: bonds (distance) C4'-P energy: -68.949 bonds (distance) P-C4' energy: -84.333 flat angles C4'-P-C4' energy: -88.647 flat angles P-C4'-P energy: -59.416 tors. eta vs tors. theta energy: -104.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1077.939715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.939715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.939715 (E_RNA) where: Base-Base interactions energy: -671.841 where: short stacking energy: -306.961 Base-Backbone interact. energy: -1.661 local terms energy: -404.438146 where: bonds (distance) C4'-P energy: -83.843 bonds (distance) P-C4' energy: -94.872 flat angles C4'-P-C4' energy: -86.568 flat angles P-C4'-P energy: -64.151 tors. eta vs tors. theta energy: -75.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -803.382220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.382220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.382220 (E_RNA) where: Base-Base interactions energy: -509.311 where: short stacking energy: -265.314 Base-Backbone interact. energy: 1.127 local terms energy: -295.198288 where: bonds (distance) C4'-P energy: -66.972 bonds (distance) P-C4' energy: -79.552 flat angles C4'-P-C4' energy: -69.076 flat angles P-C4'-P energy: -48.107 tors. eta vs tors. theta energy: -31.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -547.211315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.211315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.211315 (E_RNA) where: Base-Base interactions energy: -259.294 where: short stacking energy: -158.494 Base-Backbone interact. energy: 1.630 local terms energy: -289.547378 where: bonds (distance) C4'-P energy: -76.303 bonds (distance) P-C4' energy: -86.819 flat angles C4'-P-C4' energy: -71.600 flat angles P-C4'-P energy: -52.367 tors. eta vs tors. theta energy: -2.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -460.198367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.198367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.198367 (E_RNA) where: Base-Base interactions energy: -208.467 where: short stacking energy: -137.508 Base-Backbone interact. energy: -1.473 local terms energy: -250.259208 where: bonds (distance) C4'-P energy: -66.585 bonds (distance) P-C4' energy: -82.169 flat angles C4'-P-C4' energy: -66.642 flat angles P-C4'-P energy: -42.108 tors. eta vs tors. theta energy: 7.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1713.158535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.158535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.158535 (E_RNA) where: Base-Base interactions energy: -1178.681 where: short stacking energy: -516.385 Base-Backbone interact. energy: 0.280 local terms energy: -534.758161 where: bonds (distance) C4'-P energy: -97.009 bonds (distance) P-C4' energy: -86.637 flat angles C4'-P-C4' energy: -111.343 flat angles P-C4'-P energy: -75.743 tors. eta vs tors. theta energy: -164.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1630.944793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.944793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.944793 (E_RNA) where: Base-Base interactions energy: -1129.875 where: short stacking energy: -477.984 Base-Backbone interact. energy: -1.421 local terms energy: -499.649090 where: bonds (distance) C4'-P energy: -84.133 bonds (distance) P-C4' energy: -94.568 flat angles C4'-P-C4' energy: -107.630 flat angles P-C4'-P energy: -71.442 tors. eta vs tors. theta energy: -141.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1565.802724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.802724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.802724 (E_RNA) where: Base-Base interactions energy: -1072.990 where: short stacking energy: -460.034 Base-Backbone interact. energy: -1.686 local terms energy: -491.126889 where: bonds (distance) C4'-P energy: -97.997 bonds (distance) P-C4' energy: -84.066 flat angles C4'-P-C4' energy: -106.324 flat angles P-C4'-P energy: -60.346 tors. eta vs tors. theta energy: -142.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1529.138754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.138754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.138754 (E_RNA) where: Base-Base interactions energy: -1038.913 where: short stacking energy: -483.549 Base-Backbone interact. energy: -0.948 local terms energy: -489.277411 where: bonds (distance) C4'-P energy: -79.071 bonds (distance) P-C4' energy: -76.516 flat angles C4'-P-C4' energy: -111.013 flat angles P-C4'-P energy: -69.106 tors. eta vs tors. theta energy: -153.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1360.347961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.347961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.347961 (E_RNA) where: Base-Base interactions energy: -925.779 where: short stacking energy: -408.037 Base-Backbone interact. energy: -1.589 local terms energy: -432.980253 where: bonds (distance) C4'-P energy: -90.866 bonds (distance) P-C4' energy: -79.777 flat angles C4'-P-C4' energy: -87.204 flat angles P-C4'-P energy: -60.746 tors. eta vs tors. theta energy: -114.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1198.151335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.151335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.151335 (E_RNA) where: Base-Base interactions energy: -776.649 where: short stacking energy: -355.763 Base-Backbone interact. energy: 1.311 local terms energy: -422.813087 where: bonds (distance) C4'-P energy: -73.424 bonds (distance) P-C4' energy: -89.275 flat angles C4'-P-C4' energy: -99.333 flat angles P-C4'-P energy: -59.489 tors. eta vs tors. theta energy: -101.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1068.755585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.755585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.755585 (E_RNA) where: Base-Base interactions energy: -692.142 where: short stacking energy: -309.312 Base-Backbone interact. energy: 1.677 local terms energy: -378.290140 where: bonds (distance) C4'-P energy: -62.663 bonds (distance) P-C4' energy: -78.563 flat angles C4'-P-C4' energy: -86.223 flat angles P-C4'-P energy: -73.231 tors. eta vs tors. theta energy: -77.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -801.490665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.490665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.490665 (E_RNA) where: Base-Base interactions energy: -475.963 where: short stacking energy: -242.905 Base-Backbone interact. energy: -2.625 local terms energy: -322.902536 where: bonds (distance) C4'-P energy: -68.541 bonds (distance) P-C4' energy: -90.550 flat angles C4'-P-C4' energy: -77.334 flat angles P-C4'-P energy: -43.971 tors. eta vs tors. theta energy: -42.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -549.563628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.563628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.563628 (E_RNA) where: Base-Base interactions energy: -288.542 where: short stacking energy: -160.050 Base-Backbone interact. energy: -2.014 local terms energy: -259.007349 where: bonds (distance) C4'-P energy: -63.081 bonds (distance) P-C4' energy: -74.546 flat angles C4'-P-C4' energy: -73.163 flat angles P-C4'-P energy: -42.867 tors. eta vs tors. theta energy: -5.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -495.839423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.839423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.839423 (E_RNA) where: Base-Base interactions energy: -252.397 where: short stacking energy: -131.204 Base-Backbone interact. energy: -2.388 local terms energy: -241.054500 where: bonds (distance) C4'-P energy: -82.285 bonds (distance) P-C4' energy: -66.356 flat angles C4'-P-C4' energy: -66.269 flat angles P-C4'-P energy: -26.782 tors. eta vs tors. theta energy: 0.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1723.576912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.576912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.576912 (E_RNA) where: Base-Base interactions energy: -1184.477 where: short stacking energy: -518.149 Base-Backbone interact. energy: -0.005 local terms energy: -539.094374 where: bonds (distance) C4'-P energy: -91.573 bonds (distance) P-C4' energy: -96.772 flat angles C4'-P-C4' energy: -109.020 flat angles P-C4'-P energy: -72.829 tors. eta vs tors. theta energy: -168.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1640.983627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.983627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.983627 (E_RNA) where: Base-Base interactions energy: -1144.456 where: short stacking energy: -485.789 Base-Backbone interact. energy: -1.183 local terms energy: -495.344648 where: bonds (distance) C4'-P energy: -91.985 bonds (distance) P-C4' energy: -87.537 flat angles C4'-P-C4' energy: -100.450 flat angles P-C4'-P energy: -68.192 tors. eta vs tors. theta energy: -147.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1556.268099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.268099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.268099 (E_RNA) where: Base-Base interactions energy: -1073.174 where: short stacking energy: -469.842 Base-Backbone interact. energy: -2.339 local terms energy: -480.755227 where: bonds (distance) C4'-P energy: -89.071 bonds (distance) P-C4' energy: -74.884 flat angles C4'-P-C4' energy: -105.089 flat angles P-C4'-P energy: -73.861 tors. eta vs tors. theta energy: -137.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1515.927897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.927897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.927897 (E_RNA) where: Base-Base interactions energy: -1042.005 where: short stacking energy: -464.069 Base-Backbone interact. energy: 4.448 local terms energy: -478.370466 where: bonds (distance) C4'-P energy: -83.488 bonds (distance) P-C4' energy: -84.492 flat angles C4'-P-C4' energy: -99.524 flat angles P-C4'-P energy: -73.469 tors. eta vs tors. theta energy: -137.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1440.142228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.142228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.142228 (E_RNA) where: Base-Base interactions energy: -1002.417 where: short stacking energy: -453.562 Base-Backbone interact. energy: -3.208 local terms energy: -434.517348 where: bonds (distance) C4'-P energy: -78.171 bonds (distance) P-C4' energy: -85.949 flat angles C4'-P-C4' energy: -93.406 flat angles P-C4'-P energy: -57.325 tors. eta vs tors. theta energy: -119.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1184.519895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.519895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.519895 (E_RNA) where: Base-Base interactions energy: -774.329 where: short stacking energy: -365.868 Base-Backbone interact. energy: -1.553 local terms energy: -408.637734 where: bonds (distance) C4'-P energy: -73.132 bonds (distance) P-C4' energy: -91.705 flat angles C4'-P-C4' energy: -78.440 flat angles P-C4'-P energy: -60.484 tors. eta vs tors. theta energy: -104.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1070.344923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.344923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.344923 (E_RNA) where: Base-Base interactions energy: -706.236 where: short stacking energy: -322.284 Base-Backbone interact. energy: -1.181 local terms energy: -362.927245 where: bonds (distance) C4'-P energy: -64.589 bonds (distance) P-C4' energy: -86.563 flat angles C4'-P-C4' energy: -77.658 flat angles P-C4'-P energy: -60.397 tors. eta vs tors. theta energy: -73.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -794.309222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.309222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.309222 (E_RNA) where: Base-Base interactions energy: -476.532 where: short stacking energy: -227.809 Base-Backbone interact. energy: -3.772 local terms energy: -314.005143 where: bonds (distance) C4'-P energy: -78.562 bonds (distance) P-C4' energy: -74.639 flat angles C4'-P-C4' energy: -79.914 flat angles P-C4'-P energy: -40.385 tors. eta vs tors. theta energy: -40.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -640.165336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.165336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.165336 (E_RNA) where: Base-Base interactions energy: -349.471 where: short stacking energy: -194.726 Base-Backbone interact. energy: 5.095 local terms energy: -295.789678 where: bonds (distance) C4'-P energy: -84.289 bonds (distance) P-C4' energy: -73.637 flat angles C4'-P-C4' energy: -69.615 flat angles P-C4'-P energy: -52.204 tors. eta vs tors. theta energy: -16.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -535.731514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.731514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.731514 (E_RNA) where: Base-Base interactions energy: -290.468 where: short stacking energy: -172.343 Base-Backbone interact. energy: 2.285 local terms energy: -247.548260 where: bonds (distance) C4'-P energy: -71.477 bonds (distance) P-C4' energy: -68.648 flat angles C4'-P-C4' energy: -72.684 flat angles P-C4'-P energy: -23.479 tors. eta vs tors. theta energy: -11.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1714.536681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.536681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.536681 (E_RNA) where: Base-Base interactions energy: -1170.576 where: short stacking energy: -519.251 Base-Backbone interact. energy: -2.001 local terms energy: -541.960040 where: bonds (distance) C4'-P energy: -97.428 bonds (distance) P-C4' energy: -95.224 flat angles C4'-P-C4' energy: -107.936 flat angles P-C4'-P energy: -74.348 tors. eta vs tors. theta energy: -167.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1669.588813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.588813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.588813 (E_RNA) where: Base-Base interactions energy: -1163.659 where: short stacking energy: -487.245 Base-Backbone interact. energy: -1.446 local terms energy: -504.484144 where: bonds (distance) C4'-P energy: -92.398 bonds (distance) P-C4' energy: -99.232 flat angles C4'-P-C4' energy: -98.934 flat angles P-C4'-P energy: -75.986 tors. eta vs tors. theta energy: -137.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1565.790914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.790914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.790914 (E_RNA) where: Base-Base interactions energy: -1068.438 where: short stacking energy: -461.623 Base-Backbone interact. energy: 1.179 local terms energy: -498.532547 where: bonds (distance) C4'-P energy: -86.186 bonds (distance) P-C4' energy: -96.092 flat angles C4'-P-C4' energy: -94.657 flat angles P-C4'-P energy: -78.288 tors. eta vs tors. theta energy: -143.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1544.072141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.072141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.072141 (E_RNA) where: Base-Base interactions energy: -1059.683 where: short stacking energy: -506.404 Base-Backbone interact. energy: -0.646 local terms energy: -483.742691 where: bonds (distance) C4'-P energy: -64.690 bonds (distance) P-C4' energy: -88.224 flat angles C4'-P-C4' energy: -109.179 flat angles P-C4'-P energy: -69.612 tors. eta vs tors. theta energy: -152.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1417.167849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.167849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.167849 (E_RNA) where: Base-Base interactions energy: -995.446 where: short stacking energy: -442.965 Base-Backbone interact. energy: -1.245 local terms energy: -420.477184 where: bonds (distance) C4'-P energy: -75.373 bonds (distance) P-C4' energy: -91.579 flat angles C4'-P-C4' energy: -96.346 flat angles P-C4'-P energy: -44.073 tors. eta vs tors. theta energy: -113.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1211.192957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.192957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.192957 (E_RNA) where: Base-Base interactions energy: -800.132 where: short stacking energy: -375.715 Base-Backbone interact. energy: -0.213 local terms energy: -410.848283 where: bonds (distance) C4'-P energy: -74.673 bonds (distance) P-C4' energy: -80.275 flat angles C4'-P-C4' energy: -96.426 flat angles P-C4'-P energy: -59.542 tors. eta vs tors. theta energy: -99.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1110.063671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.063671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.063671 (E_RNA) where: Base-Base interactions energy: -735.219 where: short stacking energy: -328.385 Base-Backbone interact. energy: -3.313 local terms energy: -371.532176 where: bonds (distance) C4'-P energy: -83.023 bonds (distance) P-C4' energy: -88.265 flat angles C4'-P-C4' energy: -76.709 flat angles P-C4'-P energy: -50.407 tors. eta vs tors. theta energy: -73.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -712.844760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.844760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.844760 (E_RNA) where: Base-Base interactions energy: -387.100 where: short stacking energy: -205.950 Base-Backbone interact. energy: -3.390 local terms energy: -322.354959 where: bonds (distance) C4'-P energy: -83.523 bonds (distance) P-C4' energy: -86.036 flat angles C4'-P-C4' energy: -81.973 flat angles P-C4'-P energy: -43.701 tors. eta vs tors. theta energy: -27.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -532.338854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.338854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.338854 (E_RNA) where: Base-Base interactions energy: -282.945 where: short stacking energy: -160.793 Base-Backbone interact. energy: -1.535 local terms energy: -247.859185 where: bonds (distance) C4'-P energy: -82.377 bonds (distance) P-C4' energy: -74.136 flat angles C4'-P-C4' energy: -67.138 flat angles P-C4'-P energy: -28.252 tors. eta vs tors. theta energy: 4.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -516.996811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.996811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.996811 (E_RNA) where: Base-Base interactions energy: -244.685 where: short stacking energy: -143.276 Base-Backbone interact. energy: 0.206 local terms energy: -272.518053 where: bonds (distance) C4'-P energy: -89.614 bonds (distance) P-C4' energy: -88.661 flat angles C4'-P-C4' energy: -53.797 flat angles P-C4'-P energy: -36.581 tors. eta vs tors. theta energy: -3.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1721.480466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.480466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.480466 (E_RNA) where: Base-Base interactions energy: -1175.943 where: short stacking energy: -534.133 Base-Backbone interact. energy: -2.320 local terms energy: -543.218358 where: bonds (distance) C4'-P energy: -100.747 bonds (distance) P-C4' energy: -87.765 flat angles C4'-P-C4' energy: -110.476 flat angles P-C4'-P energy: -72.798 tors. eta vs tors. theta energy: -171.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1647.535462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.535462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.535462 (E_RNA) where: Base-Base interactions energy: -1123.584 where: short stacking energy: -479.725 Base-Backbone interact. energy: -2.249 local terms energy: -521.702430 where: bonds (distance) C4'-P energy: -99.343 bonds (distance) P-C4' energy: -96.236 flat angles C4'-P-C4' energy: -105.071 flat angles P-C4'-P energy: -71.207 tors. eta vs tors. theta energy: -149.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1564.550907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.550907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.550907 (E_RNA) where: Base-Base interactions energy: -1069.608 where: short stacking energy: -459.240 Base-Backbone interact. energy: -2.064 local terms energy: -492.879744 where: bonds (distance) C4'-P energy: -76.244 bonds (distance) P-C4' energy: -101.363 flat angles C4'-P-C4' energy: -108.311 flat angles P-C4'-P energy: -67.877 tors. eta vs tors. theta energy: -139.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1539.473246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.473246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.473246 (E_RNA) where: Base-Base interactions energy: -1054.000 where: short stacking energy: -479.361 Base-Backbone interact. energy: -2.501 local terms energy: -482.972110 where: bonds (distance) C4'-P energy: -80.037 bonds (distance) P-C4' energy: -85.898 flat angles C4'-P-C4' energy: -105.135 flat angles P-C4'-P energy: -66.911 tors. eta vs tors. theta energy: -144.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1369.879096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.879096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.879096 (E_RNA) where: Base-Base interactions energy: -939.435 where: short stacking energy: -406.779 Base-Backbone interact. energy: -0.804 local terms energy: -429.640424 where: bonds (distance) C4'-P energy: -88.433 bonds (distance) P-C4' energy: -83.219 flat angles C4'-P-C4' energy: -92.498 flat angles P-C4'-P energy: -51.498 tors. eta vs tors. theta energy: -113.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1207.467263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.467263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.467263 (E_RNA) where: Base-Base interactions energy: -782.904 where: short stacking energy: -365.599 Base-Backbone interact. energy: -2.320 local terms energy: -422.243816 where: bonds (distance) C4'-P energy: -88.218 bonds (distance) P-C4' energy: -80.539 flat angles C4'-P-C4' energy: -93.827 flat angles P-C4'-P energy: -56.205 tors. eta vs tors. theta energy: -103.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1098.373020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.373020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.373020 (E_RNA) where: Base-Base interactions energy: -713.769 where: short stacking energy: -336.086 Base-Backbone interact. energy: -2.613 local terms energy: -381.991502 where: bonds (distance) C4'-P energy: -88.744 bonds (distance) P-C4' energy: -88.133 flat angles C4'-P-C4' energy: -74.452 flat angles P-C4'-P energy: -59.528 tors. eta vs tors. theta energy: -71.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -738.221345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.221345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.221345 (E_RNA) where: Base-Base interactions energy: -402.602 where: short stacking energy: -206.159 Base-Backbone interact. energy: -0.606 local terms energy: -335.013563 where: bonds (distance) C4'-P energy: -68.089 bonds (distance) P-C4' energy: -86.109 flat angles C4'-P-C4' energy: -87.790 flat angles P-C4'-P energy: -52.384 tors. eta vs tors. theta energy: -40.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -509.208836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.208836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.208836 (E_RNA) where: Base-Base interactions energy: -250.731 where: short stacking energy: -167.289 Base-Backbone interact. energy: -2.075 local terms energy: -256.403702 where: bonds (distance) C4'-P energy: -84.721 bonds (distance) P-C4' energy: -73.373 flat angles C4'-P-C4' energy: -60.453 flat angles P-C4'-P energy: -33.425 tors. eta vs tors. theta energy: -4.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -486.696807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.696807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.696807 (E_RNA) where: Base-Base interactions energy: -230.128 where: short stacking energy: -138.691 Base-Backbone interact. energy: -0.791 local terms energy: -255.777384 where: bonds (distance) C4'-P energy: -76.876 bonds (distance) P-C4' energy: -84.043 flat angles C4'-P-C4' energy: -59.106 flat angles P-C4'-P energy: -39.998 tors. eta vs tors. theta energy: 4.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1706.488803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.488803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.488803 (E_RNA) where: Base-Base interactions energy: -1185.206 where: short stacking energy: -531.957 Base-Backbone interact. energy: -1.591 local terms energy: -519.692163 where: bonds (distance) C4'-P energy: -89.963 bonds (distance) P-C4' energy: -84.684 flat angles C4'-P-C4' energy: -105.781 flat angles P-C4'-P energy: -76.497 tors. eta vs tors. theta energy: -162.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1639.719666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.719666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.719666 (E_RNA) where: Base-Base interactions energy: -1120.631 where: short stacking energy: -498.453 Base-Backbone interact. energy: -4.002 local terms energy: -515.087092 where: bonds (distance) C4'-P energy: -88.595 bonds (distance) P-C4' energy: -89.455 flat angles C4'-P-C4' energy: -107.147 flat angles P-C4'-P energy: -79.045 tors. eta vs tors. theta energy: -150.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1609.239605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.239605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.239605 (E_RNA) where: Base-Base interactions energy: -1106.094 where: short stacking energy: -494.580 Base-Backbone interact. energy: -1.762 local terms energy: -501.383100 where: bonds (distance) C4'-P energy: -87.161 bonds (distance) P-C4' energy: -97.682 flat angles C4'-P-C4' energy: -109.792 flat angles P-C4'-P energy: -69.111 tors. eta vs tors. theta energy: -137.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1469.727466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.727466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.727466 (E_RNA) where: Base-Base interactions energy: -983.342 where: short stacking energy: -458.381 Base-Backbone interact. energy: 0.112 local terms energy: -486.496842 where: bonds (distance) C4'-P energy: -95.997 bonds (distance) P-C4' energy: -74.799 flat angles C4'-P-C4' energy: -98.997 flat angles P-C4'-P energy: -75.988 tors. eta vs tors. theta energy: -140.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -1355.158695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.158695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.158695 (E_RNA) where: Base-Base interactions energy: -944.269 where: short stacking energy: -401.879 Base-Backbone interact. energy: -0.045 local terms energy: -410.843853 where: bonds (distance) C4'-P energy: -79.113 bonds (distance) P-C4' energy: -75.653 flat angles C4'-P-C4' energy: -93.008 flat angles P-C4'-P energy: -61.795 tors. eta vs tors. theta energy: -101.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1229.365065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.365065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.365065 (E_RNA) where: Base-Base interactions energy: -814.525 where: short stacking energy: -382.391 Base-Backbone interact. energy: 0.201 local terms energy: -415.040668 where: bonds (distance) C4'-P energy: -66.184 bonds (distance) P-C4' energy: -84.336 flat angles C4'-P-C4' energy: -95.078 flat angles P-C4'-P energy: -56.196 tors. eta vs tors. theta energy: -113.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1063.395248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.395248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.395248 (E_RNA) where: Base-Base interactions energy: -683.981 where: short stacking energy: -319.343 Base-Backbone interact. energy: -2.475 local terms energy: -376.938429 where: bonds (distance) C4'-P energy: -81.508 bonds (distance) P-C4' energy: -76.768 flat angles C4'-P-C4' energy: -92.230 flat angles P-C4'-P energy: -54.583 tors. eta vs tors. theta energy: -71.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -733.026358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.026358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.026358 (E_RNA) where: Base-Base interactions energy: -429.142 where: short stacking energy: -224.392 Base-Backbone interact. energy: -1.014 local terms energy: -302.870580 where: bonds (distance) C4'-P energy: -69.642 bonds (distance) P-C4' energy: -86.929 flat angles C4'-P-C4' energy: -73.404 flat angles P-C4'-P energy: -37.758 tors. eta vs tors. theta energy: -35.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -532.116170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.116170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.116170 (E_RNA) where: Base-Base interactions energy: -269.031 where: short stacking energy: -157.032 Base-Backbone interact. energy: 1.081 local terms energy: -264.165888 where: bonds (distance) C4'-P energy: -75.807 bonds (distance) P-C4' energy: -64.833 flat angles C4'-P-C4' energy: -82.822 flat angles P-C4'-P energy: -44.523 tors. eta vs tors. theta energy: 3.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -481.201666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.201666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.201666 (E_RNA) where: Base-Base interactions energy: -217.857 where: short stacking energy: -139.602 Base-Backbone interact. energy: 4.597 local terms energy: -267.942275 where: bonds (distance) C4'-P energy: -72.171 bonds (distance) P-C4' energy: -74.799 flat angles C4'-P-C4' energy: -78.483 flat angles P-C4'-P energy: -38.620 tors. eta vs tors. theta energy: -3.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1713.517584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.517584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.517584 (E_RNA) where: Base-Base interactions energy: -1174.883 where: short stacking energy: -527.863 Base-Backbone interact. energy: -2.034 local terms energy: -536.601051 where: bonds (distance) C4'-P energy: -85.389 bonds (distance) P-C4' energy: -97.709 flat angles C4'-P-C4' energy: -115.411 flat angles P-C4'-P energy: -70.776 tors. eta vs tors. theta energy: -167.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1629.126582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.126582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.126582 (E_RNA) where: Base-Base interactions energy: -1128.068 where: short stacking energy: -482.367 Base-Backbone interact. energy: -2.825 local terms energy: -498.233738 where: bonds (distance) C4'-P energy: -88.894 bonds (distance) P-C4' energy: -92.005 flat angles C4'-P-C4' energy: -100.085 flat angles P-C4'-P energy: -70.164 tors. eta vs tors. theta energy: -147.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1613.428658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.428658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.428658 (E_RNA) where: Base-Base interactions energy: -1112.838 where: short stacking energy: -490.445 Base-Backbone interact. energy: -3.152 local terms energy: -497.438692 where: bonds (distance) C4'-P energy: -92.207 bonds (distance) P-C4' energy: -82.781 flat angles C4'-P-C4' energy: -97.197 flat angles P-C4'-P energy: -67.030 tors. eta vs tors. theta energy: -158.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1453.442200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.442200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.442200 (E_RNA) where: Base-Base interactions energy: -994.588 where: short stacking energy: -451.833 Base-Backbone interact. energy: -2.521 local terms energy: -456.333636 where: bonds (distance) C4'-P energy: -78.971 bonds (distance) P-C4' energy: -76.752 flat angles C4'-P-C4' energy: -105.967 flat angles P-C4'-P energy: -57.894 tors. eta vs tors. theta energy: -136.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1330.873170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.873170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.873170 (E_RNA) where: Base-Base interactions energy: -904.307 where: short stacking energy: -394.341 Base-Backbone interact. energy: -3.408 local terms energy: -423.157646 where: bonds (distance) C4'-P energy: -85.112 bonds (distance) P-C4' energy: -91.030 flat angles C4'-P-C4' energy: -86.844 flat angles P-C4'-P energy: -57.714 tors. eta vs tors. theta energy: -102.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1251.738016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.738016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.738016 (E_RNA) where: Base-Base interactions energy: -836.767 where: short stacking energy: -354.001 Base-Backbone interact. energy: 1.063 local terms energy: -416.034736 where: bonds (distance) C4'-P energy: -85.538 bonds (distance) P-C4' energy: -78.005 flat angles C4'-P-C4' energy: -95.805 flat angles P-C4'-P energy: -62.247 tors. eta vs tors. theta energy: -94.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1052.183401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.183401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.183401 (E_RNA) where: Base-Base interactions energy: -680.504 where: short stacking energy: -298.882 Base-Backbone interact. energy: 1.757 local terms energy: -373.436177 where: bonds (distance) C4'-P energy: -88.489 bonds (distance) P-C4' energy: -83.226 flat angles C4'-P-C4' energy: -78.444 flat angles P-C4'-P energy: -53.571 tors. eta vs tors. theta energy: -69.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -767.507088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.507088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.507088 (E_RNA) where: Base-Base interactions energy: -438.167 where: short stacking energy: -234.529 Base-Backbone interact. energy: 3.115 local terms energy: -332.454609 where: bonds (distance) C4'-P energy: -77.775 bonds (distance) P-C4' energy: -87.897 flat angles C4'-P-C4' energy: -86.793 flat angles P-C4'-P energy: -45.968 tors. eta vs tors. theta energy: -34.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -542.875430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.875430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.875430 (E_RNA) where: Base-Base interactions energy: -275.436 where: short stacking energy: -146.121 Base-Backbone interact. energy: -2.753 local terms energy: -264.686650 where: bonds (distance) C4'-P energy: -72.172 bonds (distance) P-C4' energy: -81.610 flat angles C4'-P-C4' energy: -68.850 flat angles P-C4'-P energy: -41.092 tors. eta vs tors. theta energy: -0.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -469.616568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.616568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.616568 (E_RNA) where: Base-Base interactions energy: -220.426 where: short stacking energy: -151.433 Base-Backbone interact. energy: -0.372 local terms energy: -248.818419 where: bonds (distance) C4'-P energy: -79.870 bonds (distance) P-C4' energy: -89.845 flat angles C4'-P-C4' energy: -60.762 flat angles P-C4'-P energy: -15.297 tors. eta vs tors. theta energy: -3.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1701.915806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.915806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.915806 (E_RNA) where: Base-Base interactions energy: -1160.324 where: short stacking energy: -523.323 Base-Backbone interact. energy: -1.491 local terms energy: -540.100707 where: bonds (distance) C4'-P energy: -87.619 bonds (distance) P-C4' energy: -86.983 flat angles C4'-P-C4' energy: -117.313 flat angles P-C4'-P energy: -76.495 tors. eta vs tors. theta energy: -171.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1629.776609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.776609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.776609 (E_RNA) where: Base-Base interactions energy: -1107.934 where: short stacking energy: -479.382 Base-Backbone interact. energy: -0.888 local terms energy: -520.955066 where: bonds (distance) C4'-P energy: -99.458 bonds (distance) P-C4' energy: -97.485 flat angles C4'-P-C4' energy: -110.135 flat angles P-C4'-P energy: -66.480 tors. eta vs tors. theta energy: -147.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1573.074160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.074160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.074160 (E_RNA) where: Base-Base interactions energy: -1085.719 where: short stacking energy: -477.423 Base-Backbone interact. energy: -3.794 local terms energy: -483.560891 where: bonds (distance) C4'-P energy: -86.545 bonds (distance) P-C4' energy: -91.890 flat angles C4'-P-C4' energy: -100.157 flat angles P-C4'-P energy: -71.589 tors. eta vs tors. theta energy: -133.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1436.870285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.870285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.870285 (E_RNA) where: Base-Base interactions energy: -961.560 where: short stacking energy: -437.802 Base-Backbone interact. energy: -0.467 local terms energy: -474.843384 where: bonds (distance) C4'-P energy: -82.722 bonds (distance) P-C4' energy: -86.559 flat angles C4'-P-C4' energy: -95.315 flat angles P-C4'-P energy: -73.940 tors. eta vs tors. theta energy: -136.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1320.625804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.625804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.625804 (E_RNA) where: Base-Base interactions energy: -885.274 where: short stacking energy: -382.229 Base-Backbone interact. energy: -1.373 local terms energy: -433.978845 where: bonds (distance) C4'-P energy: -85.152 bonds (distance) P-C4' energy: -92.167 flat angles C4'-P-C4' energy: -88.137 flat angles P-C4'-P energy: -62.018 tors. eta vs tors. theta energy: -106.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1221.265469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.265469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.265469 (E_RNA) where: Base-Base interactions energy: -791.413 where: short stacking energy: -351.216 Base-Backbone interact. energy: -0.310 local terms energy: -429.542776 where: bonds (distance) C4'-P energy: -101.224 bonds (distance) P-C4' energy: -74.452 flat angles C4'-P-C4' energy: -93.566 flat angles P-C4'-P energy: -61.941 tors. eta vs tors. theta energy: -98.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1020.492230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.492230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.492230 (E_RNA) where: Base-Base interactions energy: -623.427 where: short stacking energy: -300.095 Base-Backbone interact. energy: 2.305 local terms energy: -399.369756 where: bonds (distance) C4'-P energy: -75.199 bonds (distance) P-C4' energy: -75.516 flat angles C4'-P-C4' energy: -93.008 flat angles P-C4'-P energy: -70.731 tors. eta vs tors. theta energy: -84.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -775.890382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.890382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.890382 (E_RNA) where: Base-Base interactions energy: -467.305 where: short stacking energy: -220.138 Base-Backbone interact. energy: 0.469 local terms energy: -309.053871 where: bonds (distance) C4'-P energy: -75.719 bonds (distance) P-C4' energy: -92.533 flat angles C4'-P-C4' energy: -79.245 flat angles P-C4'-P energy: -28.586 tors. eta vs tors. theta energy: -32.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -651.469812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.469812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.469812 (E_RNA) where: Base-Base interactions energy: -383.254 where: short stacking energy: -181.841 Base-Backbone interact. energy: -0.736 local terms energy: -267.479886 where: bonds (distance) C4'-P energy: -64.557 bonds (distance) P-C4' energy: -72.107 flat angles C4'-P-C4' energy: -53.697 flat angles P-C4'-P energy: -58.386 tors. eta vs tors. theta energy: -18.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -458.501665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.501665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.501665 (E_RNA) where: Base-Base interactions energy: -208.878 where: short stacking energy: -143.844 Base-Backbone interact. energy: -1.737 local terms energy: -247.886918 where: bonds (distance) C4'-P energy: -61.394 bonds (distance) P-C4' energy: -80.974 flat angles C4'-P-C4' energy: -66.167 flat angles P-C4'-P energy: -38.751 tors. eta vs tors. theta energy: -0.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1715.433273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.433273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.433273 (E_RNA) where: Base-Base interactions energy: -1165.711 where: short stacking energy: -507.845 Base-Backbone interact. energy: -2.355 local terms energy: -547.367611 where: bonds (distance) C4'-P energy: -91.187 bonds (distance) P-C4' energy: -104.455 flat angles C4'-P-C4' energy: -114.355 flat angles P-C4'-P energy: -76.931 tors. eta vs tors. theta energy: -160.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1626.138042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.138042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.138042 (E_RNA) where: Base-Base interactions energy: -1129.661 where: short stacking energy: -481.030 Base-Backbone interact. energy: -3.676 local terms energy: -492.800615 where: bonds (distance) C4'-P energy: -90.240 bonds (distance) P-C4' energy: -94.772 flat angles C4'-P-C4' energy: -100.831 flat angles P-C4'-P energy: -61.067 tors. eta vs tors. theta energy: -145.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1571.743043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.743043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.743043 (E_RNA) where: Base-Base interactions energy: -1083.378 where: short stacking energy: -471.947 Base-Backbone interact. energy: 2.002 local terms energy: -490.366831 where: bonds (distance) C4'-P energy: -79.729 bonds (distance) P-C4' energy: -96.286 flat angles C4'-P-C4' energy: -100.729 flat angles P-C4'-P energy: -62.434 tors. eta vs tors. theta energy: -151.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1468.414084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.414084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.414084 (E_RNA) where: Base-Base interactions energy: -979.746 where: short stacking energy: -461.018 Base-Backbone interact. energy: -1.966 local terms energy: -486.702199 where: bonds (distance) C4'-P energy: -85.644 bonds (distance) P-C4' energy: -101.157 flat angles C4'-P-C4' energy: -97.517 flat angles P-C4'-P energy: -68.182 tors. eta vs tors. theta energy: -134.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1350.606484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.606484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.606484 (E_RNA) where: Base-Base interactions energy: -904.551 where: short stacking energy: -417.992 Base-Backbone interact. energy: -1.445 local terms energy: -444.610608 where: bonds (distance) C4'-P energy: -91.446 bonds (distance) P-C4' energy: -84.993 flat angles C4'-P-C4' energy: -92.583 flat angles P-C4'-P energy: -61.114 tors. eta vs tors. theta energy: -114.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1235.215300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.215300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.215300 (E_RNA) where: Base-Base interactions energy: -814.020 where: short stacking energy: -362.974 Base-Backbone interact. energy: -1.673 local terms energy: -419.522184 where: bonds (distance) C4'-P energy: -74.802 bonds (distance) P-C4' energy: -83.632 flat angles C4'-P-C4' energy: -96.407 flat angles P-C4'-P energy: -53.157 tors. eta vs tors. theta energy: -111.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1067.605640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.605640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.605640 (E_RNA) where: Base-Base interactions energy: -699.303 where: short stacking energy: -316.462 Base-Backbone interact. energy: 2.265 local terms energy: -370.567361 where: bonds (distance) C4'-P energy: -81.360 bonds (distance) P-C4' energy: -89.100 flat angles C4'-P-C4' energy: -79.500 flat angles P-C4'-P energy: -61.770 tors. eta vs tors. theta energy: -58.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -836.008582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.008582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.008582 (E_RNA) where: Base-Base interactions energy: -493.727 where: short stacking energy: -248.547 Base-Backbone interact. energy: -1.232 local terms energy: -341.049206 where: bonds (distance) C4'-P energy: -79.916 bonds (distance) P-C4' energy: -84.545 flat angles C4'-P-C4' energy: -81.702 flat angles P-C4'-P energy: -50.441 tors. eta vs tors. theta energy: -44.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -696.042543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.042543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.042543 (E_RNA) where: Base-Base interactions energy: -404.997 where: short stacking energy: -206.975 Base-Backbone interact. energy: 0.276 local terms energy: -291.321877 where: bonds (distance) C4'-P energy: -74.532 bonds (distance) P-C4' energy: -87.995 flat angles C4'-P-C4' energy: -59.725 flat angles P-C4'-P energy: -45.851 tors. eta vs tors. theta energy: -23.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -467.348864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.348864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.348864 (E_RNA) where: Base-Base interactions energy: -215.224 where: short stacking energy: -141.495 Base-Backbone interact. energy: -0.960 local terms energy: -251.165489 where: bonds (distance) C4'-P energy: -64.696 bonds (distance) P-C4' energy: -70.220 flat angles C4'-P-C4' energy: -71.655 flat angles P-C4'-P energy: -40.216 tors. eta vs tors. theta energy: -4.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1721.408854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.408854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.408854 (E_RNA) where: Base-Base interactions energy: -1180.164 where: short stacking energy: -531.085 Base-Backbone interact. energy: -1.701 local terms energy: -539.544320 where: bonds (distance) C4'-P energy: -91.381 bonds (distance) P-C4' energy: -92.542 flat angles C4'-P-C4' energy: -111.278 flat angles P-C4'-P energy: -82.607 tors. eta vs tors. theta energy: -161.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1626.986536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.986536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.986536 (E_RNA) where: Base-Base interactions energy: -1118.035 where: short stacking energy: -477.867 Base-Backbone interact. energy: -0.539 local terms energy: -508.411882 where: bonds (distance) C4'-P energy: -96.226 bonds (distance) P-C4' energy: -87.166 flat angles C4'-P-C4' energy: -110.013 flat angles P-C4'-P energy: -69.365 tors. eta vs tors. theta energy: -145.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1588.899078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.899078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.899078 (E_RNA) where: Base-Base interactions energy: -1092.031 where: short stacking energy: -468.289 Base-Backbone interact. energy: -0.502 local terms energy: -496.366094 where: bonds (distance) C4'-P energy: -80.518 bonds (distance) P-C4' energy: -90.693 flat angles C4'-P-C4' energy: -110.450 flat angles P-C4'-P energy: -68.992 tors. eta vs tors. theta energy: -145.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1458.232431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.232431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.232431 (E_RNA) where: Base-Base interactions energy: -984.511 where: short stacking energy: -455.604 Base-Backbone interact. energy: -1.078 local terms energy: -472.643193 where: bonds (distance) C4'-P energy: -78.885 bonds (distance) P-C4' energy: -83.754 flat angles C4'-P-C4' energy: -99.143 flat angles P-C4'-P energy: -68.616 tors. eta vs tors. theta energy: -142.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1430.931453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.931453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.931453 (E_RNA) where: Base-Base interactions energy: -995.152 where: short stacking energy: -431.970 Base-Backbone interact. energy: -1.285 local terms energy: -434.494285 where: bonds (distance) C4'-P energy: -86.015 bonds (distance) P-C4' energy: -87.007 flat angles C4'-P-C4' energy: -96.364 flat angles P-C4'-P energy: -51.974 tors. eta vs tors. theta energy: -113.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1267.544232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1267.544232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1267.544232 (E_RNA) where: Base-Base interactions energy: -826.909 where: short stacking energy: -376.370 Base-Backbone interact. energy: -1.945 local terms energy: -438.689577 where: bonds (distance) C4'-P energy: -86.169 bonds (distance) P-C4' energy: -92.488 flat angles C4'-P-C4' energy: -99.366 flat angles P-C4'-P energy: -59.688 tors. eta vs tors. theta energy: -100.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1070.539592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.539592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.539592 (E_RNA) where: Base-Base interactions energy: -716.331 where: short stacking energy: -330.307 Base-Backbone interact. energy: 1.399 local terms energy: -355.607378 where: bonds (distance) C4'-P energy: -72.601 bonds (distance) P-C4' energy: -77.514 flat angles C4'-P-C4' energy: -72.847 flat angles P-C4'-P energy: -58.334 tors. eta vs tors. theta energy: -74.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -844.989465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.989465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.989465 (E_RNA) where: Base-Base interactions energy: -518.978 where: short stacking energy: -267.874 Base-Backbone interact. energy: -1.700 local terms energy: -324.311726 where: bonds (distance) C4'-P energy: -79.362 bonds (distance) P-C4' energy: -86.426 flat angles C4'-P-C4' energy: -82.590 flat angles P-C4'-P energy: -23.765 tors. eta vs tors. theta energy: -52.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -681.396723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.396723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.396723 (E_RNA) where: Base-Base interactions energy: -393.517 where: short stacking energy: -188.430 Base-Backbone interact. energy: 4.135 local terms energy: -292.015200 where: bonds (distance) C4'-P energy: -89.241 bonds (distance) P-C4' energy: -72.185 flat angles C4'-P-C4' energy: -59.634 flat angles P-C4'-P energy: -49.240 tors. eta vs tors. theta energy: -21.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -547.806262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.806262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.806262 (E_RNA) where: Base-Base interactions energy: -280.912 where: short stacking energy: -159.163 Base-Backbone interact. energy: 0.417 local terms energy: -267.312039 where: bonds (distance) C4'-P energy: -77.119 bonds (distance) P-C4' energy: -84.502 flat angles C4'-P-C4' energy: -66.062 flat angles P-C4'-P energy: -37.511 tors. eta vs tors. theta energy: -2.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1727.337877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.337877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.337877 (E_RNA) where: Base-Base interactions energy: -1177.903 where: short stacking energy: -519.663 Base-Backbone interact. energy: -2.836 local terms energy: -546.598777 where: bonds (distance) C4'-P energy: -96.819 bonds (distance) P-C4' energy: -93.285 flat angles C4'-P-C4' energy: -110.130 flat angles P-C4'-P energy: -79.189 tors. eta vs tors. theta energy: -167.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1649.666143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.666143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.666143 (E_RNA) where: Base-Base interactions energy: -1135.178 where: short stacking energy: -488.998 Base-Backbone interact. energy: -1.562 local terms energy: -512.925477 where: bonds (distance) C4'-P energy: -96.524 bonds (distance) P-C4' energy: -90.369 flat angles C4'-P-C4' energy: -104.180 flat angles P-C4'-P energy: -68.374 tors. eta vs tors. theta energy: -153.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1590.894458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.894458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.894458 (E_RNA) where: Base-Base interactions energy: -1091.814 where: short stacking energy: -469.154 Base-Backbone interact. energy: 0.472 local terms energy: -499.552999 where: bonds (distance) C4'-P energy: -92.927 bonds (distance) P-C4' energy: -99.257 flat angles C4'-P-C4' energy: -103.423 flat angles P-C4'-P energy: -65.603 tors. eta vs tors. theta energy: -138.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1481.539426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.539426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.539426 (E_RNA) where: Base-Base interactions energy: -1004.928 where: short stacking energy: -439.058 Base-Backbone interact. energy: -2.431 local terms energy: -474.179942 where: bonds (distance) C4'-P energy: -94.309 bonds (distance) P-C4' energy: -99.178 flat angles C4'-P-C4' energy: -91.681 flat angles P-C4'-P energy: -59.037 tors. eta vs tors. theta energy: -129.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1409.442423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.442423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.442423 (E_RNA) where: Base-Base interactions energy: -965.846 where: short stacking energy: -407.226 Base-Backbone interact. energy: -1.951 local terms energy: -441.644831 where: bonds (distance) C4'-P energy: -76.764 bonds (distance) P-C4' energy: -95.119 flat angles C4'-P-C4' energy: -93.578 flat angles P-C4'-P energy: -65.627 tors. eta vs tors. theta energy: -110.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1250.483951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.483951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.483951 (E_RNA) where: Base-Base interactions energy: -849.433 where: short stacking energy: -372.921 Base-Backbone interact. energy: 0.597 local terms energy: -401.648132 where: bonds (distance) C4'-P energy: -76.661 bonds (distance) P-C4' energy: -85.452 flat angles C4'-P-C4' energy: -90.194 flat angles P-C4'-P energy: -57.468 tors. eta vs tors. theta energy: -91.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1006.616236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.616236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.616236 (E_RNA) where: Base-Base interactions energy: -656.331 where: short stacking energy: -292.657 Base-Backbone interact. energy: -0.938 local terms energy: -349.347726 where: bonds (distance) C4'-P energy: -79.460 bonds (distance) P-C4' energy: -79.672 flat angles C4'-P-C4' energy: -80.506 flat angles P-C4'-P energy: -46.500 tors. eta vs tors. theta energy: -63.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -782.442899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.442899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.442899 (E_RNA) where: Base-Base interactions energy: -458.028 where: short stacking energy: -212.185 Base-Backbone interact. energy: 0.445 local terms energy: -324.859813 where: bonds (distance) C4'-P energy: -83.338 bonds (distance) P-C4' energy: -84.294 flat angles C4'-P-C4' energy: -62.689 flat angles P-C4'-P energy: -57.031 tors. eta vs tors. theta energy: -37.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -747.376728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.376728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.376728 (E_RNA) where: Base-Base interactions energy: -466.932 where: short stacking energy: -222.309 Base-Backbone interact. energy: -1.363 local terms energy: -279.081265 where: bonds (distance) C4'-P energy: -68.467 bonds (distance) P-C4' energy: -75.205 flat angles C4'-P-C4' energy: -80.186 flat angles P-C4'-P energy: -31.043 tors. eta vs tors. theta energy: -24.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -506.096457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.096457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.096457 (E_RNA) where: Base-Base interactions energy: -255.854 where: short stacking energy: -158.441 Base-Backbone interact. energy: -0.462 local terms energy: -249.780871 where: bonds (distance) C4'-P energy: -70.904 bonds (distance) P-C4' energy: -81.501 flat angles C4'-P-C4' energy: -62.566 flat angles P-C4'-P energy: -28.782 tors. eta vs tors. theta energy: -6.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1680.032228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.032228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.032228 (E_RNA) where: Base-Base interactions energy: -1141.565 where: short stacking energy: -487.414 Base-Backbone interact. energy: -2.758 local terms energy: -535.709463 where: bonds (distance) C4'-P energy: -101.847 bonds (distance) P-C4' energy: -90.551 flat angles C4'-P-C4' energy: -112.509 flat angles P-C4'-P energy: -79.356 tors. eta vs tors. theta energy: -151.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1675.770911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.770911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.770911 (E_RNA) where: Base-Base interactions energy: -1156.430 where: short stacking energy: -512.831 Base-Backbone interact. energy: -1.253 local terms energy: -518.087980 where: bonds (distance) C4'-P energy: -85.650 bonds (distance) P-C4' energy: -89.834 flat angles C4'-P-C4' energy: -114.012 flat angles P-C4'-P energy: -73.761 tors. eta vs tors. theta energy: -154.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1556.888513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.888513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.888513 (E_RNA) where: Base-Base interactions energy: -1066.069 where: short stacking energy: -456.500 Base-Backbone interact. energy: -3.085 local terms energy: -487.733844 where: bonds (distance) C4'-P energy: -85.055 bonds (distance) P-C4' energy: -98.553 flat angles C4'-P-C4' energy: -96.344 flat angles P-C4'-P energy: -74.056 tors. eta vs tors. theta energy: -133.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1477.047014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.047014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.047014 (E_RNA) where: Base-Base interactions energy: -990.554 where: short stacking energy: -455.517 Base-Backbone interact. energy: -0.326 local terms energy: -486.167148 where: bonds (distance) C4'-P energy: -80.184 bonds (distance) P-C4' energy: -95.253 flat angles C4'-P-C4' energy: -103.318 flat angles P-C4'-P energy: -62.556 tors. eta vs tors. theta energy: -144.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -1410.247813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.247813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.247813 (E_RNA) where: Base-Base interactions energy: -954.858 where: short stacking energy: -402.013 Base-Backbone interact. energy: -2.682 local terms energy: -452.707651 where: bonds (distance) C4'-P energy: -84.182 bonds (distance) P-C4' energy: -93.434 flat angles C4'-P-C4' energy: -94.190 flat angles P-C4'-P energy: -65.780 tors. eta vs tors. theta energy: -115.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -1282.848791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.848791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.848791 (E_RNA) where: Base-Base interactions energy: -868.386 where: short stacking energy: -395.441 Base-Backbone interact. energy: 0.683 local terms energy: -415.146127 where: bonds (distance) C4'-P energy: -68.501 bonds (distance) P-C4' energy: -82.656 flat angles C4'-P-C4' energy: -95.281 flat angles P-C4'-P energy: -53.576 tors. eta vs tors. theta energy: -115.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -978.361555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.361555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.361555 (E_RNA) where: Base-Base interactions energy: -612.224 where: short stacking energy: -286.500 Base-Backbone interact. energy: 0.683 local terms energy: -366.820803 where: bonds (distance) C4'-P energy: -76.103 bonds (distance) P-C4' energy: -79.886 flat angles C4'-P-C4' energy: -85.390 flat angles P-C4'-P energy: -62.240 tors. eta vs tors. theta energy: -63.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -760.590614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.590614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.590614 (E_RNA) where: Base-Base interactions energy: -447.924 where: short stacking energy: -227.076 Base-Backbone interact. energy: -2.775 local terms energy: -309.891512 where: bonds (distance) C4'-P energy: -79.601 bonds (distance) P-C4' energy: -84.536 flat angles C4'-P-C4' energy: -70.339 flat angles P-C4'-P energy: -41.184 tors. eta vs tors. theta energy: -34.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -741.752573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.752573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.752573 (E_RNA) where: Base-Base interactions energy: -432.431 where: short stacking energy: -226.796 Base-Backbone interact. energy: 0.553 local terms energy: -309.874507 where: bonds (distance) C4'-P energy: -69.602 bonds (distance) P-C4' energy: -95.565 flat angles C4'-P-C4' energy: -65.414 flat angles P-C4'-P energy: -46.394 tors. eta vs tors. theta energy: -32.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -420.097319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.097319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.097319 (E_RNA) where: Base-Base interactions energy: -198.959 where: short stacking energy: -111.162 Base-Backbone interact. energy: -0.032 local terms energy: -221.105795 where: bonds (distance) C4'-P energy: -59.133 bonds (distance) P-C4' energy: -79.913 flat angles C4'-P-C4' energy: -61.748 flat angles P-C4'-P energy: -37.379 tors. eta vs tors. theta energy: 17.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1654.973109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.973109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.973109 (E_RNA) where: Base-Base interactions energy: -1141.357 where: short stacking energy: -503.180 Base-Backbone interact. energy: -1.645 local terms energy: -511.971024 where: bonds (distance) C4'-P energy: -90.209 bonds (distance) P-C4' energy: -102.776 flat angles C4'-P-C4' energy: -101.438 flat angles P-C4'-P energy: -64.473 tors. eta vs tors. theta energy: -153.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1685.365301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.365301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.365301 (E_RNA) where: Base-Base interactions energy: -1148.782 where: short stacking energy: -495.122 Base-Backbone interact. energy: -3.219 local terms energy: -533.364053 where: bonds (distance) C4'-P energy: -94.495 bonds (distance) P-C4' energy: -104.375 flat angles C4'-P-C4' energy: -109.058 flat angles P-C4'-P energy: -68.722 tors. eta vs tors. theta energy: -156.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1539.910575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.910575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.910575 (E_RNA) where: Base-Base interactions energy: -1059.013 where: short stacking energy: -474.783 Base-Backbone interact. energy: -1.449 local terms energy: -479.448064 where: bonds (distance) C4'-P energy: -90.624 bonds (distance) P-C4' energy: -86.165 flat angles C4'-P-C4' energy: -107.116 flat angles P-C4'-P energy: -60.776 tors. eta vs tors. theta energy: -134.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1462.811029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.811029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.811029 (E_RNA) where: Base-Base interactions energy: -1017.184 where: short stacking energy: -462.813 Base-Backbone interact. energy: -2.088 local terms energy: -443.539307 where: bonds (distance) C4'-P energy: -58.941 bonds (distance) P-C4' energy: -90.683 flat angles C4'-P-C4' energy: -90.702 flat angles P-C4'-P energy: -69.654 tors. eta vs tors. theta energy: -133.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -1377.486730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.486730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.486730 (E_RNA) where: Base-Base interactions energy: -925.658 where: short stacking energy: -412.359 Base-Backbone interact. energy: 0.222 local terms energy: -452.050782 where: bonds (distance) C4'-P energy: -75.495 bonds (distance) P-C4' energy: -89.722 flat angles C4'-P-C4' energy: -100.188 flat angles P-C4'-P energy: -64.346 tors. eta vs tors. theta energy: -122.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1313.038031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.038031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.038031 (E_RNA) where: Base-Base interactions energy: -894.150 where: short stacking energy: -393.841 Base-Backbone interact. energy: 0.350 local terms energy: -419.237828 where: bonds (distance) C4'-P energy: -71.501 bonds (distance) P-C4' energy: -86.870 flat angles C4'-P-C4' energy: -94.237 flat angles P-C4'-P energy: -56.813 tors. eta vs tors. theta energy: -109.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -947.626456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.626456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.626456 (E_RNA) where: Base-Base interactions energy: -569.721 where: short stacking energy: -276.822 Base-Backbone interact. energy: -2.706 local terms energy: -375.199490 where: bonds (distance) C4'-P energy: -77.828 bonds (distance) P-C4' energy: -84.057 flat angles C4'-P-C4' energy: -91.040 flat angles P-C4'-P energy: -58.675 tors. eta vs tors. theta energy: -63.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -787.436288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.436288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.436288 (E_RNA) where: Base-Base interactions energy: -462.615 where: short stacking energy: -217.149 Base-Backbone interact. energy: -2.429 local terms energy: -322.391988 where: bonds (distance) C4'-P energy: -83.643 bonds (distance) P-C4' energy: -83.120 flat angles C4'-P-C4' energy: -84.425 flat angles P-C4'-P energy: -46.041 tors. eta vs tors. theta energy: -25.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -711.702565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.702565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.702565 (E_RNA) where: Base-Base interactions energy: -418.201 where: short stacking energy: -210.760 Base-Backbone interact. energy: 1.546 local terms energy: -295.048249 where: bonds (distance) C4'-P energy: -62.682 bonds (distance) P-C4' energy: -84.475 flat angles C4'-P-C4' energy: -57.798 flat angles P-C4'-P energy: -55.978 tors. eta vs tors. theta energy: -34.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -455.449041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.449041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.449041 (E_RNA) where: Base-Base interactions energy: -196.507 where: short stacking energy: -110.248 Base-Backbone interact. energy: 1.994 local terms energy: -260.936158 where: bonds (distance) C4'-P energy: -68.143 bonds (distance) P-C4' energy: -86.940 flat angles C4'-P-C4' energy: -75.452 flat angles P-C4'-P energy: -38.636 tors. eta vs tors. theta energy: 8.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1662.302369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.302369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.302369 (E_RNA) where: Base-Base interactions energy: -1137.927 where: short stacking energy: -517.349 Base-Backbone interact. energy: -3.269 local terms energy: -521.107183 where: bonds (distance) C4'-P energy: -85.965 bonds (distance) P-C4' energy: -97.014 flat angles C4'-P-C4' energy: -116.297 flat angles P-C4'-P energy: -70.411 tors. eta vs tors. theta energy: -151.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -1681.552789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.552789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.552789 (E_RNA) where: Base-Base interactions energy: -1161.128 where: short stacking energy: -505.602 Base-Backbone interact. energy: -1.315 local terms energy: -519.109681 where: bonds (distance) C4'-P energy: -89.522 bonds (distance) P-C4' energy: -83.813 flat angles C4'-P-C4' energy: -113.448 flat angles P-C4'-P energy: -70.545 tors. eta vs tors. theta energy: -161.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1524.630290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.630290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.630290 (E_RNA) where: Base-Base interactions energy: -1060.188 where: short stacking energy: -469.477 Base-Backbone interact. energy: -1.747 local terms energy: -462.695603 where: bonds (distance) C4'-P energy: -74.548 bonds (distance) P-C4' energy: -84.908 flat angles C4'-P-C4' energy: -100.583 flat angles P-C4'-P energy: -66.958 tors. eta vs tors. theta energy: -135.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1479.972691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.972691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.972691 (E_RNA) where: Base-Base interactions energy: -1013.267 where: short stacking energy: -457.501 Base-Backbone interact. energy: -4.708 local terms energy: -461.997763 where: bonds (distance) C4'-P energy: -81.658 bonds (distance) P-C4' energy: -90.060 flat angles C4'-P-C4' energy: -108.177 flat angles P-C4'-P energy: -56.436 tors. eta vs tors. theta energy: -125.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -1415.918419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.918419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.918419 (E_RNA) where: Base-Base interactions energy: -959.380 where: short stacking energy: -455.758 Base-Backbone interact. energy: -1.478 local terms energy: -455.060334 where: bonds (distance) C4'-P energy: -76.280 bonds (distance) P-C4' energy: -91.568 flat angles C4'-P-C4' energy: -86.173 flat angles P-C4'-P energy: -59.629 tors. eta vs tors. theta energy: -141.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -1259.619038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.619038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.619038 (E_RNA) where: Base-Base interactions energy: -837.476 where: short stacking energy: -356.300 Base-Backbone interact. energy: -2.182 local terms energy: -419.961127 where: bonds (distance) C4'-P energy: -83.851 bonds (distance) P-C4' energy: -75.449 flat angles C4'-P-C4' energy: -89.810 flat angles P-C4'-P energy: -63.518 tors. eta vs tors. theta energy: -107.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -945.880778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.880778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.880778 (E_RNA) where: Base-Base interactions energy: -602.145 where: short stacking energy: -280.629 Base-Backbone interact. energy: -1.918 local terms energy: -341.818579 where: bonds (distance) C4'-P energy: -63.500 bonds (distance) P-C4' energy: -82.464 flat angles C4'-P-C4' energy: -82.176 flat angles P-C4'-P energy: -57.505 tors. eta vs tors. theta energy: -56.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -809.229939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.229939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.229939 (E_RNA) where: Base-Base interactions energy: -501.098 where: short stacking energy: -245.287 Base-Backbone interact. energy: 0.736 local terms energy: -308.867839 where: bonds (distance) C4'-P energy: -64.878 bonds (distance) P-C4' energy: -90.607 flat angles C4'-P-C4' energy: -72.019 flat angles P-C4'-P energy: -48.415 tors. eta vs tors. theta energy: -32.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -704.545225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.545225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.545225 (E_RNA) where: Base-Base interactions energy: -406.183 where: short stacking energy: -218.565 Base-Backbone interact. energy: -1.054 local terms energy: -297.307948 where: bonds (distance) C4'-P energy: -87.172 bonds (distance) P-C4' energy: -65.051 flat angles C4'-P-C4' energy: -78.470 flat angles P-C4'-P energy: -39.550 tors. eta vs tors. theta energy: -27.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -497.251399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.251399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.251399 (E_RNA) where: Base-Base interactions energy: -235.722 where: short stacking energy: -116.254 Base-Backbone interact. energy: 2.693 local terms energy: -264.222046 where: bonds (distance) C4'-P energy: -79.839 bonds (distance) P-C4' energy: -78.070 flat angles C4'-P-C4' energy: -80.462 flat angles P-C4'-P energy: -39.854 tors. eta vs tors. theta energy: 14.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1648.862533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.862533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.862533 (E_RNA) where: Base-Base interactions energy: -1105.635 where: short stacking energy: -480.903 Base-Backbone interact. energy: -1.924 local terms energy: -541.303912 where: bonds (distance) C4'-P energy: -98.473 bonds (distance) P-C4' energy: -106.778 flat angles C4'-P-C4' energy: -99.357 flat angles P-C4'-P energy: -87.541 tors. eta vs tors. theta energy: -149.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1657.167005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.167005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.167005 (E_RNA) where: Base-Base interactions energy: -1141.861 where: short stacking energy: -501.376 Base-Backbone interact. energy: -1.981 local terms energy: -513.324955 where: bonds (distance) C4'-P energy: -88.268 bonds (distance) P-C4' energy: -94.789 flat angles C4'-P-C4' energy: -105.281 flat angles P-C4'-P energy: -61.642 tors. eta vs tors. theta energy: -163.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1535.724655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.724655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.724655 (E_RNA) where: Base-Base interactions energy: -1058.596 where: short stacking energy: -450.548 Base-Backbone interact. energy: 2.107 local terms energy: -479.235583 where: bonds (distance) C4'-P energy: -94.006 bonds (distance) P-C4' energy: -82.335 flat angles C4'-P-C4' energy: -95.831 flat angles P-C4'-P energy: -64.933 tors. eta vs tors. theta energy: -142.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1491.370188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.370188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.370188 (E_RNA) where: Base-Base interactions energy: -1038.188 where: short stacking energy: -448.489 Base-Backbone interact. energy: -3.770 local terms energy: -449.412690 where: bonds (distance) C4'-P energy: -70.834 bonds (distance) P-C4' energy: -81.496 flat angles C4'-P-C4' energy: -97.524 flat angles P-C4'-P energy: -74.990 tors. eta vs tors. theta energy: -124.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1378.030869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.030869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.030869 (E_RNA) where: Base-Base interactions energy: -916.673 where: short stacking energy: -415.375 Base-Backbone interact. energy: -0.755 local terms energy: -460.602767 where: bonds (distance) C4'-P energy: -81.117 bonds (distance) P-C4' energy: -71.301 flat angles C4'-P-C4' energy: -111.218 flat angles P-C4'-P energy: -72.352 tors. eta vs tors. theta energy: -124.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -1288.185100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.185100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.185100 (E_RNA) where: Base-Base interactions energy: -853.472 where: short stacking energy: -396.556 Base-Backbone interact. energy: -0.380 local terms energy: -434.333343 where: bonds (distance) C4'-P energy: -83.300 bonds (distance) P-C4' energy: -86.218 flat angles C4'-P-C4' energy: -98.947 flat angles P-C4'-P energy: -59.868 tors. eta vs tors. theta energy: -106.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -997.662745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.662745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.662745 (E_RNA) where: Base-Base interactions energy: -626.315 where: short stacking energy: -279.302 Base-Backbone interact. energy: -1.991 local terms energy: -369.356606 where: bonds (distance) C4'-P energy: -83.183 bonds (distance) P-C4' energy: -96.087 flat angles C4'-P-C4' energy: -79.544 flat angles P-C4'-P energy: -48.151 tors. eta vs tors. theta energy: -62.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -819.794205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.794205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.794205 (E_RNA) where: Base-Base interactions energy: -476.959 where: short stacking energy: -247.370 Base-Backbone interact. energy: -1.200 local terms energy: -341.635403 where: bonds (distance) C4'-P energy: -83.846 bonds (distance) P-C4' energy: -90.771 flat angles C4'-P-C4' energy: -56.677 flat angles P-C4'-P energy: -61.032 tors. eta vs tors. theta energy: -49.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -710.447801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.447801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.447801 (E_RNA) where: Base-Base interactions energy: -399.175 where: short stacking energy: -212.760 Base-Backbone interact. energy: -2.060 local terms energy: -309.212710 where: bonds (distance) C4'-P energy: -78.902 bonds (distance) P-C4' energy: -80.981 flat angles C4'-P-C4' energy: -78.488 flat angles P-C4'-P energy: -49.443 tors. eta vs tors. theta energy: -21.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -497.715713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.715713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.715713 (E_RNA) where: Base-Base interactions energy: -269.695 where: short stacking energy: -143.609 Base-Backbone interact. energy: 0.189 local terms energy: -228.209877 where: bonds (distance) C4'-P energy: -57.109 bonds (distance) P-C4' energy: -84.486 flat angles C4'-P-C4' energy: -70.616 flat angles P-C4'-P energy: -25.490 tors. eta vs tors. theta energy: 9.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1685.012729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.012729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.012729 (E_RNA) where: Base-Base interactions energy: -1163.490 where: short stacking energy: -504.246 Base-Backbone interact. energy: -0.022 local terms energy: -521.500680 where: bonds (distance) C4'-P energy: -90.692 bonds (distance) P-C4' energy: -88.460 flat angles C4'-P-C4' energy: -110.803 flat angles P-C4'-P energy: -74.734 tors. eta vs tors. theta energy: -156.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1634.069956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.069956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.069956 (E_RNA) where: Base-Base interactions energy: -1141.764 where: short stacking energy: -495.839 Base-Backbone interact. energy: 1.526 local terms energy: -493.832596 where: bonds (distance) C4'-P energy: -86.482 bonds (distance) P-C4' energy: -89.098 flat angles C4'-P-C4' energy: -100.243 flat angles P-C4'-P energy: -77.290 tors. eta vs tors. theta energy: -140.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1501.538389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.538389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.538389 (E_RNA) where: Base-Base interactions energy: -1028.757 where: short stacking energy: -429.971 Base-Backbone interact. energy: -2.017 local terms energy: -470.764386 where: bonds (distance) C4'-P energy: -94.110 bonds (distance) P-C4' energy: -99.203 flat angles C4'-P-C4' energy: -97.820 flat angles P-C4'-P energy: -54.668 tors. eta vs tors. theta energy: -124.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1511.289309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.289309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.289309 (E_RNA) where: Base-Base interactions energy: -1044.368 where: short stacking energy: -440.648 Base-Backbone interact. energy: -2.400 local terms energy: -464.521341 where: bonds (distance) C4'-P energy: -84.234 bonds (distance) P-C4' energy: -85.841 flat angles C4'-P-C4' energy: -99.008 flat angles P-C4'-P energy: -62.300 tors. eta vs tors. theta energy: -133.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1404.718146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.718146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.718146 (E_RNA) where: Base-Base interactions energy: -946.279 where: short stacking energy: -428.310 Base-Backbone interact. energy: -0.685 local terms energy: -457.754217 where: bonds (distance) C4'-P energy: -77.229 bonds (distance) P-C4' energy: -71.764 flat angles C4'-P-C4' energy: -100.047 flat angles P-C4'-P energy: -73.667 tors. eta vs tors. theta energy: -135.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1235.760683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.760683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.760683 (E_RNA) where: Base-Base interactions energy: -823.792 where: short stacking energy: -365.543 Base-Backbone interact. energy: -0.636 local terms energy: -411.332235 where: bonds (distance) C4'-P energy: -66.263 bonds (distance) P-C4' energy: -92.257 flat angles C4'-P-C4' energy: -88.494 flat angles P-C4'-P energy: -57.120 tors. eta vs tors. theta energy: -107.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -959.491392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.491392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.491392 (E_RNA) where: Base-Base interactions energy: -610.373 where: short stacking energy: -283.015 Base-Backbone interact. energy: -0.677 local terms energy: -348.441191 where: bonds (distance) C4'-P energy: -59.524 bonds (distance) P-C4' energy: -88.296 flat angles C4'-P-C4' energy: -82.279 flat angles P-C4'-P energy: -58.073 tors. eta vs tors. theta energy: -60.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -748.338429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.338429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.338429 (E_RNA) where: Base-Base interactions energy: -435.601 where: short stacking energy: -235.178 Base-Backbone interact. energy: 0.050 local terms energy: -312.787765 where: bonds (distance) C4'-P energy: -66.282 bonds (distance) P-C4' energy: -87.815 flat angles C4'-P-C4' energy: -66.908 flat angles P-C4'-P energy: -52.384 tors. eta vs tors. theta energy: -39.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -702.444988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.444988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.444988 (E_RNA) where: Base-Base interactions energy: -402.449 where: short stacking energy: -213.896 Base-Backbone interact. energy: 0.501 local terms energy: -300.497473 where: bonds (distance) C4'-P energy: -65.892 bonds (distance) P-C4' energy: -73.349 flat angles C4'-P-C4' energy: -77.476 flat angles P-C4'-P energy: -41.425 tors. eta vs tors. theta energy: -42.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -491.703677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.703677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.703677 (E_RNA) where: Base-Base interactions energy: -244.126 where: short stacking energy: -152.865 Base-Backbone interact. energy: 0.091 local terms energy: -247.669130 where: bonds (distance) C4'-P energy: -60.460 bonds (distance) P-C4' energy: -90.722 flat angles C4'-P-C4' energy: -67.569 flat angles P-C4'-P energy: -28.088 tors. eta vs tors. theta energy: -0.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1704.828308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.828308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.828308 (E_RNA) where: Base-Base interactions energy: -1171.174 where: short stacking energy: -505.970 Base-Backbone interact. energy: -1.473 local terms energy: -532.180914 where: bonds (distance) C4'-P energy: -95.966 bonds (distance) P-C4' energy: -94.215 flat angles C4'-P-C4' energy: -112.621 flat angles P-C4'-P energy: -72.904 tors. eta vs tors. theta energy: -156.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1658.563356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.563356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.563356 (E_RNA) where: Base-Base interactions energy: -1134.779 where: short stacking energy: -497.527 Base-Backbone interact. energy: -1.653 local terms energy: -522.130912 where: bonds (distance) C4'-P energy: -94.754 bonds (distance) P-C4' energy: -99.719 flat angles C4'-P-C4' energy: -105.846 flat angles P-C4'-P energy: -67.849 tors. eta vs tors. theta energy: -153.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1513.685717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.685717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.685717 (E_RNA) where: Base-Base interactions energy: -1022.365 where: short stacking energy: -426.276 Base-Backbone interact. energy: -3.934 local terms energy: -487.385908 where: bonds (distance) C4'-P energy: -101.016 bonds (distance) P-C4' energy: -94.979 flat angles C4'-P-C4' energy: -101.029 flat angles P-C4'-P energy: -64.996 tors. eta vs tors. theta energy: -125.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1522.617573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.617573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.617573 (E_RNA) where: Base-Base interactions energy: -1040.901 where: short stacking energy: -439.424 Base-Backbone interact. energy: -0.889 local terms energy: -480.828136 where: bonds (distance) C4'-P energy: -75.773 bonds (distance) P-C4' energy: -89.662 flat angles C4'-P-C4' energy: -102.878 flat angles P-C4'-P energy: -71.764 tors. eta vs tors. theta energy: -140.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1444.600140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.600140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.600140 (E_RNA) where: Base-Base interactions energy: -957.004 where: short stacking energy: -436.828 Base-Backbone interact. energy: 1.095 local terms energy: -488.690734 where: bonds (distance) C4'-P energy: -92.487 bonds (distance) P-C4' energy: -83.798 flat angles C4'-P-C4' energy: -102.011 flat angles P-C4'-P energy: -71.572 tors. eta vs tors. theta energy: -138.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1301.727998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.727998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.727998 (E_RNA) where: Base-Base interactions energy: -889.570 where: short stacking energy: -371.822 Base-Backbone interact. energy: -0.551 local terms energy: -411.606596 where: bonds (distance) C4'-P energy: -78.872 bonds (distance) P-C4' energy: -70.963 flat angles C4'-P-C4' energy: -88.725 flat angles P-C4'-P energy: -61.272 tors. eta vs tors. theta energy: -111.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1002.279848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.279848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.279848 (E_RNA) where: Base-Base interactions energy: -639.438 where: short stacking energy: -322.028 Base-Backbone interact. energy: -1.344 local terms energy: -361.497878 where: bonds (distance) C4'-P energy: -80.876 bonds (distance) P-C4' energy: -83.933 flat angles C4'-P-C4' energy: -86.634 flat angles P-C4'-P energy: -42.863 tors. eta vs tors. theta energy: -67.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -771.317009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.317009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.317009 (E_RNA) where: Base-Base interactions energy: -471.136 where: short stacking energy: -249.612 Base-Backbone interact. energy: -2.806 local terms energy: -297.374794 where: bonds (distance) C4'-P energy: -71.091 bonds (distance) P-C4' energy: -81.299 flat angles C4'-P-C4' energy: -69.250 flat angles P-C4'-P energy: -45.281 tors. eta vs tors. theta energy: -30.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -755.761842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.761842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.761842 (E_RNA) where: Base-Base interactions energy: -443.009 where: short stacking energy: -206.877 Base-Backbone interact. energy: -3.105 local terms energy: -309.647153 where: bonds (distance) C4'-P energy: -66.903 bonds (distance) P-C4' energy: -81.251 flat angles C4'-P-C4' energy: -85.392 flat angles P-C4'-P energy: -45.716 tors. eta vs tors. theta energy: -30.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -525.611447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.611447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.611447 (E_RNA) where: Base-Base interactions energy: -252.138 where: short stacking energy: -129.781 Base-Backbone interact. energy: -2.413 local terms energy: -271.059587 where: bonds (distance) C4'-P energy: -79.160 bonds (distance) P-C4' energy: -87.647 flat angles C4'-P-C4' energy: -69.679 flat angles P-C4'-P energy: -37.392 tors. eta vs tors. theta energy: 2.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1720.560998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.560998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.560998 (E_RNA) where: Base-Base interactions energy: -1180.500 where: short stacking energy: -509.832 Base-Backbone interact. energy: -0.266 local terms energy: -539.794346 where: bonds (distance) C4'-P energy: -99.314 bonds (distance) P-C4' energy: -94.242 flat angles C4'-P-C4' energy: -108.173 flat angles P-C4'-P energy: -75.071 tors. eta vs tors. theta energy: -162.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1667.838508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.838508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.838508 (E_RNA) where: Base-Base interactions energy: -1136.408 where: short stacking energy: -495.965 Base-Backbone interact. energy: 1.503 local terms energy: -532.933153 where: bonds (distance) C4'-P energy: -98.006 bonds (distance) P-C4' energy: -95.094 flat angles C4'-P-C4' energy: -104.825 flat angles P-C4'-P energy: -81.402 tors. eta vs tors. theta energy: -153.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1542.877729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.877729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.877729 (E_RNA) where: Base-Base interactions energy: -1065.677 where: short stacking energy: -464.998 Base-Backbone interact. energy: -2.085 local terms energy: -475.116040 where: bonds (distance) C4'-P energy: -98.028 bonds (distance) P-C4' energy: -82.233 flat angles C4'-P-C4' energy: -94.080 flat angles P-C4'-P energy: -68.392 tors. eta vs tors. theta energy: -132.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1492.958153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.958153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.958153 (E_RNA) where: Base-Base interactions energy: -1053.517 where: short stacking energy: -439.158 Base-Backbone interact. energy: -4.134 local terms energy: -435.307276 where: bonds (distance) C4'-P energy: -90.139 bonds (distance) P-C4' energy: -89.909 flat angles C4'-P-C4' energy: -91.396 flat angles P-C4'-P energy: -55.653 tors. eta vs tors. theta energy: -108.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1404.803685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.803685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.803685 (E_RNA) where: Base-Base interactions energy: -921.932 where: short stacking energy: -413.790 Base-Backbone interact. energy: 1.494 local terms energy: -484.366474 where: bonds (distance) C4'-P energy: -85.858 bonds (distance) P-C4' energy: -83.865 flat angles C4'-P-C4' energy: -103.985 flat angles P-C4'-P energy: -77.725 tors. eta vs tors. theta energy: -132.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1279.417461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.417461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.417461 (E_RNA) where: Base-Base interactions energy: -865.921 where: short stacking energy: -385.306 Base-Backbone interact. energy: -0.594 local terms energy: -412.902320 where: bonds (distance) C4'-P energy: -64.368 bonds (distance) P-C4' energy: -87.416 flat angles C4'-P-C4' energy: -92.867 flat angles P-C4'-P energy: -54.419 tors. eta vs tors. theta energy: -113.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -915.140532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.140532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.140532 (E_RNA) where: Base-Base interactions energy: -569.041 where: short stacking energy: -276.306 Base-Backbone interact. energy: 6.275 local terms energy: -352.375295 where: bonds (distance) C4'-P energy: -70.428 bonds (distance) P-C4' energy: -78.819 flat angles C4'-P-C4' energy: -87.334 flat angles P-C4'-P energy: -60.148 tors. eta vs tors. theta energy: -55.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -780.777629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.777629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.777629 (E_RNA) where: Base-Base interactions energy: -466.146 where: short stacking energy: -227.384 Base-Backbone interact. energy: 0.444 local terms energy: -315.075524 where: bonds (distance) C4'-P energy: -74.746 bonds (distance) P-C4' energy: -79.629 flat angles C4'-P-C4' energy: -87.300 flat angles P-C4'-P energy: -44.483 tors. eta vs tors. theta energy: -28.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -701.784845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.784845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.784845 (E_RNA) where: Base-Base interactions energy: -407.905 where: short stacking energy: -180.248 Base-Backbone interact. energy: 1.417 local terms energy: -295.296582 where: bonds (distance) C4'-P energy: -56.562 bonds (distance) P-C4' energy: -83.682 flat angles C4'-P-C4' energy: -82.185 flat angles P-C4'-P energy: -56.185 tors. eta vs tors. theta energy: -16.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -479.154422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.154422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.154422 (E_RNA) where: Base-Base interactions energy: -228.063 where: short stacking energy: -127.778 Base-Backbone interact. energy: -0.844 local terms energy: -250.247756 where: bonds (distance) C4'-P energy: -65.095 bonds (distance) P-C4' energy: -84.590 flat angles C4'-P-C4' energy: -66.539 flat angles P-C4'-P energy: -36.762 tors. eta vs tors. theta energy: 2.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1702.159382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.159382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.159382 (E_RNA) where: Base-Base interactions energy: -1171.270 where: short stacking energy: -516.859 Base-Backbone interact. energy: -1.595 local terms energy: -529.294754 where: bonds (distance) C4'-P energy: -91.361 bonds (distance) P-C4' energy: -87.403 flat angles C4'-P-C4' energy: -111.588 flat angles P-C4'-P energy: -72.729 tors. eta vs tors. theta energy: -166.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1652.936004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.936004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.936004 (E_RNA) where: Base-Base interactions energy: -1141.822 where: short stacking energy: -478.421 Base-Backbone interact. energy: -2.361 local terms energy: -508.752755 where: bonds (distance) C4'-P energy: -81.958 bonds (distance) P-C4' energy: -108.291 flat angles C4'-P-C4' energy: -101.494 flat angles P-C4'-P energy: -63.228 tors. eta vs tors. theta energy: -153.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1548.756045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.756045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.756045 (E_RNA) where: Base-Base interactions energy: -1069.493 where: short stacking energy: -460.227 Base-Backbone interact. energy: -1.467 local terms energy: -477.796146 where: bonds (distance) C4'-P energy: -82.002 bonds (distance) P-C4' energy: -87.328 flat angles C4'-P-C4' energy: -105.766 flat angles P-C4'-P energy: -72.416 tors. eta vs tors. theta energy: -130.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1445.731873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.731873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.731873 (E_RNA) where: Base-Base interactions energy: -1005.286 where: short stacking energy: -422.447 Base-Backbone interact. energy: -3.292 local terms energy: -437.153709 where: bonds (distance) C4'-P energy: -80.506 bonds (distance) P-C4' energy: -88.636 flat angles C4'-P-C4' energy: -93.866 flat angles P-C4'-P energy: -65.050 tors. eta vs tors. theta energy: -109.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1402.617902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.617902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.617902 (E_RNA) where: Base-Base interactions energy: -953.539 where: short stacking energy: -443.538 Base-Backbone interact. energy: -2.335 local terms energy: -446.743728 where: bonds (distance) C4'-P energy: -81.698 bonds (distance) P-C4' energy: -78.478 flat angles C4'-P-C4' energy: -92.363 flat angles P-C4'-P energy: -70.945 tors. eta vs tors. theta energy: -123.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1294.632548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.632548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.632548 (E_RNA) where: Base-Base interactions energy: -839.018 where: short stacking energy: -375.424 Base-Backbone interact. energy: -3.705 local terms energy: -451.910023 where: bonds (distance) C4'-P energy: -76.952 bonds (distance) P-C4' energy: -101.414 flat angles C4'-P-C4' energy: -95.544 flat angles P-C4'-P energy: -66.195 tors. eta vs tors. theta energy: -111.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -953.660653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.660653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.660653 (E_RNA) where: Base-Base interactions energy: -602.520 where: short stacking energy: -288.171 Base-Backbone interact. energy: 0.889 local terms energy: -352.030022 where: bonds (distance) C4'-P energy: -69.415 bonds (distance) P-C4' energy: -80.684 flat angles C4'-P-C4' energy: -89.511 flat angles P-C4'-P energy: -51.438 tors. eta vs tors. theta energy: -60.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -775.929818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.929818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.929818 (E_RNA) where: Base-Base interactions energy: -462.274 where: short stacking energy: -250.188 Base-Backbone interact. energy: 4.543 local terms energy: -318.198901 where: bonds (distance) C4'-P energy: -73.550 bonds (distance) P-C4' energy: -69.322 flat angles C4'-P-C4' energy: -85.007 flat angles P-C4'-P energy: -43.352 tors. eta vs tors. theta energy: -46.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -719.386087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.386087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.386087 (E_RNA) where: Base-Base interactions energy: -432.346 where: short stacking energy: -204.560 Base-Backbone interact. energy: 8.572 local terms energy: -295.611580 where: bonds (distance) C4'-P energy: -81.957 bonds (distance) P-C4' energy: -82.422 flat angles C4'-P-C4' energy: -74.036 flat angles P-C4'-P energy: -44.897 tors. eta vs tors. theta energy: -12.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -439.134716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.134716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.134716 (E_RNA) where: Base-Base interactions energy: -173.312 where: short stacking energy: -125.319 Base-Backbone interact. energy: -1.502 local terms energy: -264.320461 where: bonds (distance) C4'-P energy: -72.782 bonds (distance) P-C4' energy: -92.107 flat angles C4'-P-C4' energy: -85.169 flat angles P-C4'-P energy: -31.400 tors. eta vs tors. theta energy: 17.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1734.774884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.774884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.774884 (E_RNA) where: Base-Base interactions energy: -1178.158 where: short stacking energy: -522.522 Base-Backbone interact. energy: -2.654 local terms energy: -553.963713 where: bonds (distance) C4'-P energy: -85.898 bonds (distance) P-C4' energy: -102.812 flat angles C4'-P-C4' energy: -118.393 flat angles P-C4'-P energy: -78.529 tors. eta vs tors. theta energy: -168.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1661.897972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.897972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.897972 (E_RNA) where: Base-Base interactions energy: -1156.150 where: short stacking energy: -504.554 Base-Backbone interact. energy: -2.308 local terms energy: -503.440191 where: bonds (distance) C4'-P energy: -86.304 bonds (distance) P-C4' energy: -94.154 flat angles C4'-P-C4' energy: -104.904 flat angles P-C4'-P energy: -69.784 tors. eta vs tors. theta energy: -148.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1566.482244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.482244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.482244 (E_RNA) where: Base-Base interactions energy: -1079.515 where: short stacking energy: -474.361 Base-Backbone interact. energy: 0.963 local terms energy: -487.930680 where: bonds (distance) C4'-P energy: -78.775 bonds (distance) P-C4' energy: -92.584 flat angles C4'-P-C4' energy: -103.016 flat angles P-C4'-P energy: -68.824 tors. eta vs tors. theta energy: -144.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1508.693757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.693757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.693757 (E_RNA) where: Base-Base interactions energy: -1026.127 where: short stacking energy: -442.941 Base-Backbone interact. energy: -1.963 local terms energy: -480.603197 where: bonds (distance) C4'-P energy: -88.681 bonds (distance) P-C4' energy: -85.030 flat angles C4'-P-C4' energy: -102.338 flat angles P-C4'-P energy: -67.980 tors. eta vs tors. theta energy: -136.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1400.173752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.173752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.173752 (E_RNA) where: Base-Base interactions energy: -938.423 where: short stacking energy: -428.411 Base-Backbone interact. energy: -0.626 local terms energy: -461.124864 where: bonds (distance) C4'-P energy: -79.045 bonds (distance) P-C4' energy: -85.123 flat angles C4'-P-C4' energy: -97.538 flat angles P-C4'-P energy: -70.183 tors. eta vs tors. theta energy: -129.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -1314.828604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.828604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.828604 (E_RNA) where: Base-Base interactions energy: -878.562 where: short stacking energy: -388.746 Base-Backbone interact. energy: 2.423 local terms energy: -438.689212 where: bonds (distance) C4'-P energy: -77.959 bonds (distance) P-C4' energy: -95.351 flat angles C4'-P-C4' energy: -90.414 flat angles P-C4'-P energy: -54.950 tors. eta vs tors. theta energy: -120.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -937.371409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.371409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.371409 (E_RNA) where: Base-Base interactions energy: -560.879 where: short stacking energy: -270.742 Base-Backbone interact. energy: 3.140 local terms energy: -379.632360 where: bonds (distance) C4'-P energy: -88.468 bonds (distance) P-C4' energy: -90.172 flat angles C4'-P-C4' energy: -92.054 flat angles P-C4'-P energy: -52.195 tors. eta vs tors. theta energy: -56.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -798.172936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.172936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.172936 (E_RNA) where: Base-Base interactions energy: -483.019 where: short stacking energy: -258.727 Base-Backbone interact. energy: -2.184 local terms energy: -312.969914 where: bonds (distance) C4'-P energy: -84.125 bonds (distance) P-C4' energy: -67.989 flat angles C4'-P-C4' energy: -69.859 flat angles P-C4'-P energy: -51.598 tors. eta vs tors. theta energy: -39.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -669.181548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.181548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.181548 (E_RNA) where: Base-Base interactions energy: -394.953 where: short stacking energy: -194.939 Base-Backbone interact. energy: -2.497 local terms energy: -271.730829 where: bonds (distance) C4'-P energy: -70.830 bonds (distance) P-C4' energy: -72.954 flat angles C4'-P-C4' energy: -62.938 flat angles P-C4'-P energy: -50.323 tors. eta vs tors. theta energy: -14.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -423.400219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.400219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.400219 (E_RNA) where: Base-Base interactions energy: -198.565 where: short stacking energy: -107.332 Base-Backbone interact. energy: 1.286 local terms energy: -226.120661 where: bonds (distance) C4'-P energy: -63.403 bonds (distance) P-C4' energy: -77.893 flat angles C4'-P-C4' energy: -70.855 flat angles P-C4'-P energy: -28.150 tors. eta vs tors. theta energy: 14.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1713.511604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.511604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.511604 (E_RNA) where: Base-Base interactions energy: -1168.909 where: short stacking energy: -501.263 Base-Backbone interact. energy: -0.872 local terms energy: -543.730302 where: bonds (distance) C4'-P energy: -90.149 bonds (distance) P-C4' energy: -100.312 flat angles C4'-P-C4' energy: -108.813 flat angles P-C4'-P energy: -82.358 tors. eta vs tors. theta energy: -162.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1664.608609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.608609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.608609 (E_RNA) where: Base-Base interactions energy: -1140.026 where: short stacking energy: -494.526 Base-Backbone interact. energy: 0.946 local terms energy: -525.529271 where: bonds (distance) C4'-P energy: -88.010 bonds (distance) P-C4' energy: -99.860 flat angles C4'-P-C4' energy: -109.279 flat angles P-C4'-P energy: -77.554 tors. eta vs tors. theta energy: -150.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1568.883001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.883001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.883001 (E_RNA) where: Base-Base interactions energy: -1069.342 where: short stacking energy: -471.009 Base-Backbone interact. energy: -0.576 local terms energy: -498.964880 where: bonds (distance) C4'-P energy: -81.760 bonds (distance) P-C4' energy: -100.030 flat angles C4'-P-C4' energy: -109.797 flat angles P-C4'-P energy: -66.065 tors. eta vs tors. theta energy: -141.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1491.081553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.081553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.081553 (E_RNA) where: Base-Base interactions energy: -1043.500 where: short stacking energy: -446.830 Base-Backbone interact. energy: -0.746 local terms energy: -446.836211 where: bonds (distance) C4'-P energy: -77.822 bonds (distance) P-C4' energy: -85.222 flat angles C4'-P-C4' energy: -95.077 flat angles P-C4'-P energy: -59.918 tors. eta vs tors. theta energy: -128.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1368.958734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.958734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.958734 (E_RNA) where: Base-Base interactions energy: -916.305 where: short stacking energy: -416.172 Base-Backbone interact. energy: -1.820 local terms energy: -450.832951 where: bonds (distance) C4'-P energy: -81.250 bonds (distance) P-C4' energy: -89.547 flat angles C4'-P-C4' energy: -100.548 flat angles P-C4'-P energy: -58.680 tors. eta vs tors. theta energy: -120.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1296.148268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.148268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.148268 (E_RNA) where: Base-Base interactions energy: -857.152 where: short stacking energy: -367.042 Base-Backbone interact. energy: -1.597 local terms energy: -437.398987 where: bonds (distance) C4'-P energy: -90.201 bonds (distance) P-C4' energy: -89.973 flat angles C4'-P-C4' energy: -94.646 flat angles P-C4'-P energy: -50.181 tors. eta vs tors. theta energy: -112.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -931.187795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.187795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.187795 (E_RNA) where: Base-Base interactions energy: -550.708 where: short stacking energy: -266.745 Base-Backbone interact. energy: -3.029 local terms energy: -377.451075 where: bonds (distance) C4'-P energy: -81.099 bonds (distance) P-C4' energy: -88.659 flat angles C4'-P-C4' energy: -88.434 flat angles P-C4'-P energy: -57.190 tors. eta vs tors. theta energy: -62.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -717.604646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.604646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.604646 (E_RNA) where: Base-Base interactions energy: -412.233 where: short stacking energy: -211.157 Base-Backbone interact. energy: -0.228 local terms energy: -305.143123 where: bonds (distance) C4'-P energy: -63.322 bonds (distance) P-C4' energy: -76.150 flat angles C4'-P-C4' energy: -82.548 flat angles P-C4'-P energy: -48.532 tors. eta vs tors. theta energy: -34.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -696.494651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.494651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.494651 (E_RNA) where: Base-Base interactions energy: -417.045 where: short stacking energy: -196.593 Base-Backbone interact. energy: 8.011 local terms energy: -287.460280 where: bonds (distance) C4'-P energy: -71.984 bonds (distance) P-C4' energy: -75.002 flat angles C4'-P-C4' energy: -82.311 flat angles P-C4'-P energy: -46.113 tors. eta vs tors. theta energy: -12.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -446.265203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.265203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.265203 (E_RNA) where: Base-Base interactions energy: -222.392 where: short stacking energy: -137.646 Base-Backbone interact. energy: -2.394 local terms energy: -221.478561 where: bonds (distance) C4'-P energy: -68.517 bonds (distance) P-C4' energy: -78.780 flat angles C4'-P-C4' energy: -46.592 flat angles P-C4'-P energy: -36.540 tors. eta vs tors. theta energy: 8.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1710.264476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.264476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.264476 (E_RNA) where: Base-Base interactions energy: -1181.242 where: short stacking energy: -516.459 Base-Backbone interact. energy: 0.131 local terms energy: -529.153699 where: bonds (distance) C4'-P energy: -92.445 bonds (distance) P-C4' energy: -94.618 flat angles C4'-P-C4' energy: -108.666 flat angles P-C4'-P energy: -71.446 tors. eta vs tors. theta energy: -161.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1650.875861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.875861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.875861 (E_RNA) where: Base-Base interactions energy: -1138.802 where: short stacking energy: -493.421 Base-Backbone interact. energy: -0.581 local terms energy: -511.493080 where: bonds (distance) C4'-P energy: -97.959 bonds (distance) P-C4' energy: -91.373 flat angles C4'-P-C4' energy: -110.165 flat angles P-C4'-P energy: -67.071 tors. eta vs tors. theta energy: -144.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1543.961970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.961970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.961970 (E_RNA) where: Base-Base interactions energy: -1052.441 where: short stacking energy: -453.139 Base-Backbone interact. energy: -1.443 local terms energy: -490.077718 where: bonds (distance) C4'-P energy: -91.225 bonds (distance) P-C4' energy: -98.000 flat angles C4'-P-C4' energy: -96.442 flat angles P-C4'-P energy: -66.862 tors. eta vs tors. theta energy: -137.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1462.445980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.445980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.445980 (E_RNA) where: Base-Base interactions energy: -1004.151 where: short stacking energy: -428.573 Base-Backbone interact. energy: -1.342 local terms energy: -456.952416 where: bonds (distance) C4'-P energy: -83.281 bonds (distance) P-C4' energy: -92.350 flat angles C4'-P-C4' energy: -97.952 flat angles P-C4'-P energy: -69.911 tors. eta vs tors. theta energy: -113.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1348.837604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.837604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.837604 (E_RNA) where: Base-Base interactions energy: -922.718 where: short stacking energy: -389.551 Base-Backbone interact. energy: -1.769 local terms energy: -424.350555 where: bonds (distance) C4'-P energy: -83.837 bonds (distance) P-C4' energy: -80.006 flat angles C4'-P-C4' energy: -90.857 flat angles P-C4'-P energy: -53.982 tors. eta vs tors. theta energy: -115.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1369.174049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.174049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.174049 (E_RNA) where: Base-Base interactions energy: -956.544 where: short stacking energy: -413.680 Base-Backbone interact. energy: 1.314 local terms energy: -413.944364 where: bonds (distance) C4'-P energy: -74.752 bonds (distance) P-C4' energy: -69.035 flat angles C4'-P-C4' energy: -98.001 flat angles P-C4'-P energy: -54.101 tors. eta vs tors. theta energy: -118.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -907.283746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.283746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.283746 (E_RNA) where: Base-Base interactions energy: -575.045 where: short stacking energy: -262.620 Base-Backbone interact. energy: -2.088 local terms energy: -330.150754 where: bonds (distance) C4'-P energy: -79.815 bonds (distance) P-C4' energy: -94.953 flat angles C4'-P-C4' energy: -78.619 flat angles P-C4'-P energy: -43.758 tors. eta vs tors. theta energy: -33.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -740.425615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.425615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.425615 (E_RNA) where: Base-Base interactions energy: -409.630 where: short stacking energy: -226.079 Base-Backbone interact. energy: -0.521 local terms energy: -330.274698 where: bonds (distance) C4'-P energy: -71.752 bonds (distance) P-C4' energy: -88.238 flat angles C4'-P-C4' energy: -83.592 flat angles P-C4'-P energy: -42.781 tors. eta vs tors. theta energy: -43.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -678.152489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.152489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.152489 (E_RNA) where: Base-Base interactions energy: -347.847 where: short stacking energy: -176.741 Base-Backbone interact. energy: -1.085 local terms energy: -329.220174 where: bonds (distance) C4'-P energy: -69.687 bonds (distance) P-C4' energy: -94.812 flat angles C4'-P-C4' energy: -88.535 flat angles P-C4'-P energy: -39.823 tors. eta vs tors. theta energy: -36.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -489.908664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.908664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.908664 (E_RNA) where: Base-Base interactions energy: -222.376 where: short stacking energy: -165.727 Base-Backbone interact. energy: 2.007 local terms energy: -269.539785 where: bonds (distance) C4'-P energy: -64.374 bonds (distance) P-C4' energy: -79.236 flat angles C4'-P-C4' energy: -76.674 flat angles P-C4'-P energy: -45.032 tors. eta vs tors. theta energy: -4.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1711.929831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.929831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.929831 (E_RNA) where: Base-Base interactions energy: -1184.440 where: short stacking energy: -525.254 Base-Backbone interact. energy: -1.555 local terms energy: -525.935354 where: bonds (distance) C4'-P energy: -98.466 bonds (distance) P-C4' energy: -88.793 flat angles C4'-P-C4' energy: -110.570 flat angles P-C4'-P energy: -71.925 tors. eta vs tors. theta energy: -156.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1650.599818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.599818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.599818 (E_RNA) where: Base-Base interactions energy: -1141.768 where: short stacking energy: -491.119 Base-Backbone interact. energy: -0.193 local terms energy: -508.639387 where: bonds (distance) C4'-P energy: -91.443 bonds (distance) P-C4' energy: -88.478 flat angles C4'-P-C4' energy: -102.200 flat angles P-C4'-P energy: -81.907 tors. eta vs tors. theta energy: -144.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1585.589165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.589165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.589165 (E_RNA) where: Base-Base interactions energy: -1078.127 where: short stacking energy: -457.307 Base-Backbone interact. energy: -2.153 local terms energy: -505.308693 where: bonds (distance) C4'-P energy: -98.222 bonds (distance) P-C4' energy: -95.745 flat angles C4'-P-C4' energy: -110.241 flat angles P-C4'-P energy: -74.437 tors. eta vs tors. theta energy: -126.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1426.312320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.312320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.312320 (E_RNA) where: Base-Base interactions energy: -961.824 where: short stacking energy: -407.512 Base-Backbone interact. energy: -3.340 local terms energy: -461.148581 where: bonds (distance) C4'-P energy: -88.584 bonds (distance) P-C4' energy: -87.206 flat angles C4'-P-C4' energy: -89.824 flat angles P-C4'-P energy: -80.262 tors. eta vs tors. theta energy: -115.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1363.964682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.964682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.964682 (E_RNA) where: Base-Base interactions energy: -898.630 where: short stacking energy: -397.566 Base-Backbone interact. energy: -2.364 local terms energy: -462.970273 where: bonds (distance) C4'-P energy: -88.895 bonds (distance) P-C4' energy: -81.373 flat angles C4'-P-C4' energy: -109.642 flat angles P-C4'-P energy: -56.726 tors. eta vs tors. theta energy: -126.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1352.313341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.313341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.313341 (E_RNA) where: Base-Base interactions energy: -883.943 where: short stacking energy: -406.768 Base-Backbone interact. energy: 0.191 local terms energy: -468.561373 where: bonds (distance) C4'-P energy: -83.907 bonds (distance) P-C4' energy: -96.722 flat angles C4'-P-C4' energy: -91.815 flat angles P-C4'-P energy: -70.675 tors. eta vs tors. theta energy: -125.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -917.472707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.472707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.472707 (E_RNA) where: Base-Base interactions energy: -546.855 where: short stacking energy: -278.075 Base-Backbone interact. energy: -1.774 local terms energy: -368.843761 where: bonds (distance) C4'-P energy: -80.430 bonds (distance) P-C4' energy: -88.366 flat angles C4'-P-C4' energy: -97.164 flat angles P-C4'-P energy: -43.175 tors. eta vs tors. theta energy: -59.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -696.029608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.029608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.029608 (E_RNA) where: Base-Base interactions energy: -395.585 where: short stacking energy: -200.795 Base-Backbone interact. energy: 6.167 local terms energy: -306.612273 where: bonds (distance) C4'-P energy: -80.407 bonds (distance) P-C4' energy: -82.898 flat angles C4'-P-C4' energy: -68.521 flat angles P-C4'-P energy: -40.101 tors. eta vs tors. theta energy: -34.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -637.522575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.522575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.522575 (E_RNA) where: Base-Base interactions energy: -352.460 where: short stacking energy: -207.578 Base-Backbone interact. energy: 1.662 local terms energy: -286.724151 where: bonds (distance) C4'-P energy: -58.173 bonds (distance) P-C4' energy: -83.632 flat angles C4'-P-C4' energy: -71.391 flat angles P-C4'-P energy: -52.106 tors. eta vs tors. theta energy: -21.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -502.874745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.874745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.874745 (E_RNA) where: Base-Base interactions energy: -244.985 where: short stacking energy: -153.673 Base-Backbone interact. energy: 0.200 local terms energy: -258.089523 where: bonds (distance) C4'-P energy: -69.533 bonds (distance) P-C4' energy: -64.694 flat angles C4'-P-C4' energy: -66.644 flat angles P-C4'-P energy: -54.410 tors. eta vs tors. theta energy: -2.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1708.487026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.487026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.487026 (E_RNA) where: Base-Base interactions energy: -1202.653 where: short stacking energy: -506.355 Base-Backbone interact. energy: 0.043 local terms energy: -505.876895 where: bonds (distance) C4'-P energy: -80.649 bonds (distance) P-C4' energy: -85.640 flat angles C4'-P-C4' energy: -108.432 flat angles P-C4'-P energy: -79.539 tors. eta vs tors. theta energy: -151.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1646.207548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.207548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.207548 (E_RNA) where: Base-Base interactions energy: -1141.876 where: short stacking energy: -485.468 Base-Backbone interact. energy: -3.661 local terms energy: -500.670328 where: bonds (distance) C4'-P energy: -89.476 bonds (distance) P-C4' energy: -85.060 flat angles C4'-P-C4' energy: -113.384 flat angles P-C4'-P energy: -65.447 tors. eta vs tors. theta energy: -147.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1561.259363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.259363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.259363 (E_RNA) where: Base-Base interactions energy: -1068.319 where: short stacking energy: -472.262 Base-Backbone interact. energy: -1.622 local terms energy: -491.318278 where: bonds (distance) C4'-P energy: -96.021 bonds (distance) P-C4' energy: -85.183 flat angles C4'-P-C4' energy: -103.016 flat angles P-C4'-P energy: -66.583 tors. eta vs tors. theta energy: -140.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1425.853890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.853890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.853890 (E_RNA) where: Base-Base interactions energy: -991.163 where: short stacking energy: -423.551 Base-Backbone interact. energy: 0.603 local terms energy: -435.293876 where: bonds (distance) C4'-P energy: -78.026 bonds (distance) P-C4' energy: -86.519 flat angles C4'-P-C4' energy: -98.438 flat angles P-C4'-P energy: -57.208 tors. eta vs tors. theta energy: -115.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1339.813101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.813101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.813101 (E_RNA) where: Base-Base interactions energy: -910.259 where: short stacking energy: -398.751 Base-Backbone interact. energy: -0.729 local terms energy: -428.825673 where: bonds (distance) C4'-P energy: -85.595 bonds (distance) P-C4' energy: -81.197 flat angles C4'-P-C4' energy: -94.348 flat angles P-C4'-P energy: -54.843 tors. eta vs tors. theta energy: -112.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1255.117737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.117737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.117737 (E_RNA) where: Base-Base interactions energy: -827.859 where: short stacking energy: -362.467 Base-Backbone interact. energy: -3.092 local terms energy: -424.167352 where: bonds (distance) C4'-P energy: -78.156 bonds (distance) P-C4' energy: -96.808 flat angles C4'-P-C4' energy: -91.154 flat angles P-C4'-P energy: -48.556 tors. eta vs tors. theta energy: -109.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -973.287790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.287790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.287790 (E_RNA) where: Base-Base interactions energy: -615.256 where: short stacking energy: -297.928 Base-Backbone interact. energy: -0.354 local terms energy: -357.677455 where: bonds (distance) C4'-P energy: -82.304 bonds (distance) P-C4' energy: -82.920 flat angles C4'-P-C4' energy: -80.970 flat angles P-C4'-P energy: -43.359 tors. eta vs tors. theta energy: -68.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -728.055239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.055239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.055239 (E_RNA) where: Base-Base interactions energy: -418.537 where: short stacking energy: -234.919 Base-Backbone interact. energy: -1.723 local terms energy: -307.794782 where: bonds (distance) C4'-P energy: -66.335 bonds (distance) P-C4' energy: -81.022 flat angles C4'-P-C4' energy: -85.125 flat angles P-C4'-P energy: -30.579 tors. eta vs tors. theta energy: -44.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -620.232497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.232497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.232497 (E_RNA) where: Base-Base interactions energy: -353.076 where: short stacking energy: -196.960 Base-Backbone interact. energy: -0.446 local terms energy: -266.710021 where: bonds (distance) C4'-P energy: -78.625 bonds (distance) P-C4' energy: -71.521 flat angles C4'-P-C4' energy: -55.417 flat angles P-C4'-P energy: -39.533 tors. eta vs tors. theta energy: -21.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -464.767940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.767940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.767940 (E_RNA) where: Base-Base interactions energy: -212.024 where: short stacking energy: -124.867 Base-Backbone interact. energy: 1.462 local terms energy: -254.206062 where: bonds (distance) C4'-P energy: -66.061 bonds (distance) P-C4' energy: -79.573 flat angles C4'-P-C4' energy: -63.507 flat angles P-C4'-P energy: -54.747 tors. eta vs tors. theta energy: 9.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1721.260580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.260580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.260580 (E_RNA) where: Base-Base interactions energy: -1174.184 where: short stacking energy: -513.922 Base-Backbone interact. energy: -2.513 local terms energy: -544.564031 where: bonds (distance) C4'-P energy: -103.974 bonds (distance) P-C4' energy: -95.186 flat angles C4'-P-C4' energy: -107.837 flat angles P-C4'-P energy: -80.968 tors. eta vs tors. theta energy: -156.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1648.331139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.331139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.331139 (E_RNA) where: Base-Base interactions energy: -1128.388 where: short stacking energy: -490.743 Base-Backbone interact. energy: -0.799 local terms energy: -519.143748 where: bonds (distance) C4'-P energy: -87.706 bonds (distance) P-C4' energy: -94.718 flat angles C4'-P-C4' energy: -104.740 flat angles P-C4'-P energy: -79.205 tors. eta vs tors. theta energy: -152.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1558.682929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.682929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.682929 (E_RNA) where: Base-Base interactions energy: -1087.410 where: short stacking energy: -438.699 Base-Backbone interact. energy: 0.432 local terms energy: -471.704461 where: bonds (distance) C4'-P energy: -94.882 bonds (distance) P-C4' energy: -82.328 flat angles C4'-P-C4' energy: -94.945 flat angles P-C4'-P energy: -70.057 tors. eta vs tors. theta energy: -129.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1455.133561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.133561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.133561 (E_RNA) where: Base-Base interactions energy: -1009.234 where: short stacking energy: -444.907 Base-Backbone interact. energy: -2.710 local terms energy: -443.189610 where: bonds (distance) C4'-P energy: -78.240 bonds (distance) P-C4' energy: -77.854 flat angles C4'-P-C4' energy: -103.087 flat angles P-C4'-P energy: -61.435 tors. eta vs tors. theta energy: -122.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1385.759398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.759398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.759398 (E_RNA) where: Base-Base interactions energy: -899.069 where: short stacking energy: -423.721 Base-Backbone interact. energy: -1.554 local terms energy: -485.135891 where: bonds (distance) C4'-P energy: -95.040 bonds (distance) P-C4' energy: -85.276 flat angles C4'-P-C4' energy: -102.991 flat angles P-C4'-P energy: -67.567 tors. eta vs tors. theta energy: -134.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -1234.645312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.645312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.645312 (E_RNA) where: Base-Base interactions energy: -826.228 where: short stacking energy: -383.229 Base-Backbone interact. energy: -2.647 local terms energy: -405.770550 where: bonds (distance) C4'-P energy: -54.756 bonds (distance) P-C4' energy: -83.132 flat angles C4'-P-C4' energy: -96.920 flat angles P-C4'-P energy: -60.525 tors. eta vs tors. theta energy: -110.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -995.293519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.293519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.293519 (E_RNA) where: Base-Base interactions energy: -629.650 where: short stacking energy: -276.359 Base-Backbone interact. energy: -2.449 local terms energy: -363.195121 where: bonds (distance) C4'-P energy: -93.065 bonds (distance) P-C4' energy: -81.717 flat angles C4'-P-C4' energy: -76.334 flat angles P-C4'-P energy: -47.820 tors. eta vs tors. theta energy: -64.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -711.563574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.563574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.563574 (E_RNA) where: Base-Base interactions energy: -404.812 where: short stacking energy: -200.389 Base-Backbone interact. energy: -3.111 local terms energy: -303.640650 where: bonds (distance) C4'-P energy: -73.362 bonds (distance) P-C4' energy: -62.546 flat angles C4'-P-C4' energy: -77.486 flat angles P-C4'-P energy: -60.587 tors. eta vs tors. theta energy: -29.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -696.268859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.268859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.268859 (E_RNA) where: Base-Base interactions energy: -385.838 where: short stacking energy: -221.957 Base-Backbone interact. energy: 0.354 local terms energy: -310.785478 where: bonds (distance) C4'-P energy: -81.766 bonds (distance) P-C4' energy: -78.820 flat angles C4'-P-C4' energy: -57.900 flat angles P-C4'-P energy: -52.555 tors. eta vs tors. theta energy: -39.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -513.829361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.829361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.829361 (E_RNA) where: Base-Base interactions energy: -244.806 where: short stacking energy: -151.657 Base-Backbone interact. energy: 0.292 local terms energy: -269.315312 where: bonds (distance) C4'-P energy: -68.711 bonds (distance) P-C4' energy: -80.023 flat angles C4'-P-C4' energy: -62.659 flat angles P-C4'-P energy: -44.576 tors. eta vs tors. theta energy: -13.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1725.760200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.760200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.760200 (E_RNA) where: Base-Base interactions energy: -1177.813 where: short stacking energy: -518.286 Base-Backbone interact. energy: -0.743 local terms energy: -547.203974 where: bonds (distance) C4'-P energy: -100.827 bonds (distance) P-C4' energy: -97.891 flat angles C4'-P-C4' energy: -120.182 flat angles P-C4'-P energy: -66.934 tors. eta vs tors. theta energy: -161.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1639.820910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.820910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.820910 (E_RNA) where: Base-Base interactions energy: -1116.856 where: short stacking energy: -458.643 Base-Backbone interact. energy: -2.905 local terms energy: -520.059843 where: bonds (distance) C4'-P energy: -94.017 bonds (distance) P-C4' energy: -92.607 flat angles C4'-P-C4' energy: -107.397 flat angles P-C4'-P energy: -75.665 tors. eta vs tors. theta energy: -150.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1554.196416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.196416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.196416 (E_RNA) where: Base-Base interactions energy: -1079.873 where: short stacking energy: -457.830 Base-Backbone interact. energy: -0.616 local terms energy: -473.707487 where: bonds (distance) C4'-P energy: -97.061 bonds (distance) P-C4' energy: -84.404 flat angles C4'-P-C4' energy: -96.624 flat angles P-C4'-P energy: -63.739 tors. eta vs tors. theta energy: -131.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -1435.850455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.850455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.850455 (E_RNA) where: Base-Base interactions energy: -995.690 where: short stacking energy: -415.007 Base-Backbone interact. energy: -1.361 local terms energy: -438.799722 where: bonds (distance) C4'-P energy: -79.118 bonds (distance) P-C4' energy: -80.705 flat angles C4'-P-C4' energy: -92.364 flat angles P-C4'-P energy: -68.627 tors. eta vs tors. theta energy: -117.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -1428.641580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.641580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.641580 (E_RNA) where: Base-Base interactions energy: -946.816 where: short stacking energy: -437.486 Base-Backbone interact. energy: -2.058 local terms energy: -479.767622 where: bonds (distance) C4'-P energy: -83.451 bonds (distance) P-C4' energy: -94.471 flat angles C4'-P-C4' energy: -106.373 flat angles P-C4'-P energy: -60.283 tors. eta vs tors. theta energy: -135.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1243.390806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.390806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.390806 (E_RNA) where: Base-Base interactions energy: -842.196 where: short stacking energy: -382.580 Base-Backbone interact. energy: 1.224 local terms energy: -402.418781 where: bonds (distance) C4'-P energy: -70.502 bonds (distance) P-C4' energy: -85.785 flat angles C4'-P-C4' energy: -86.565 flat angles P-C4'-P energy: -48.593 tors. eta vs tors. theta energy: -110.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -989.595377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.595377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.595377 (E_RNA) where: Base-Base interactions energy: -648.571 where: short stacking energy: -306.438 Base-Backbone interact. energy: -1.789 local terms energy: -339.234833 where: bonds (distance) C4'-P energy: -63.052 bonds (distance) P-C4' energy: -67.150 flat angles C4'-P-C4' energy: -89.655 flat angles P-C4'-P energy: -59.958 tors. eta vs tors. theta energy: -59.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -751.515053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.515053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.515053 (E_RNA) where: Base-Base interactions energy: -423.641 where: short stacking energy: -229.501 Base-Backbone interact. energy: -0.931 local terms energy: -326.942497 where: bonds (distance) C4'-P energy: -74.771 bonds (distance) P-C4' energy: -89.370 flat angles C4'-P-C4' energy: -81.421 flat angles P-C4'-P energy: -38.145 tors. eta vs tors. theta energy: -43.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -608.738193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.738193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.738193 (E_RNA) where: Base-Base interactions energy: -310.353 where: short stacking energy: -167.017 Base-Backbone interact. energy: 0.492 local terms energy: -298.877750 where: bonds (distance) C4'-P energy: -80.312 bonds (distance) P-C4' energy: -87.295 flat angles C4'-P-C4' energy: -69.587 flat angles P-C4'-P energy: -51.058 tors. eta vs tors. theta energy: -10.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -473.736552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.736552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.736552 (E_RNA) where: Base-Base interactions energy: -228.347 where: short stacking energy: -129.588 Base-Backbone interact. energy: -2.364 local terms energy: -243.025303 where: bonds (distance) C4'-P energy: -68.622 bonds (distance) P-C4' energy: -75.991 flat angles C4'-P-C4' energy: -60.237 flat angles P-C4'-P energy: -32.562 tors. eta vs tors. theta energy: -5.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1708.646351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.646351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.646351 (E_RNA) where: Base-Base interactions energy: -1178.013 where: short stacking energy: -492.516 Base-Backbone interact. energy: -1.864 local terms energy: -528.769901 where: bonds (distance) C4'-P energy: -90.466 bonds (distance) P-C4' energy: -98.713 flat angles C4'-P-C4' energy: -106.802 flat angles P-C4'-P energy: -75.990 tors. eta vs tors. theta energy: -156.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -1637.367240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.367240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.367240 (E_RNA) where: Base-Base interactions energy: -1121.861 where: short stacking energy: -477.031 Base-Backbone interact. energy: -1.372 local terms energy: -514.134181 where: bonds (distance) C4'-P energy: -96.355 bonds (distance) P-C4' energy: -90.654 flat angles C4'-P-C4' energy: -108.428 flat angles P-C4'-P energy: -73.805 tors. eta vs tors. theta energy: -144.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -1575.228029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.228029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.228029 (E_RNA) where: Base-Base interactions energy: -1101.539 where: short stacking energy: -457.224 Base-Backbone interact. energy: -2.645 local terms energy: -471.043929 where: bonds (distance) C4'-P energy: -89.736 bonds (distance) P-C4' energy: -91.992 flat angles C4'-P-C4' energy: -91.604 flat angles P-C4'-P energy: -64.313 tors. eta vs tors. theta energy: -133.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -1442.376120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.376120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.376120 (E_RNA) where: Base-Base interactions energy: -965.044 where: short stacking energy: -443.749 Base-Backbone interact. energy: -3.004 local terms energy: -474.327809 where: bonds (distance) C4'-P energy: -94.450 bonds (distance) P-C4' energy: -76.426 flat angles C4'-P-C4' energy: -107.379 flat angles P-C4'-P energy: -62.374 tors. eta vs tors. theta energy: -133.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -1376.589924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.589924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.589924 (E_RNA) where: Base-Base interactions energy: -970.927 where: short stacking energy: -425.804 Base-Backbone interact. energy: -1.898 local terms energy: -403.765576 where: bonds (distance) C4'-P energy: -68.364 bonds (distance) P-C4' energy: -79.106 flat angles C4'-P-C4' energy: -89.602 flat angles P-C4'-P energy: -61.456 tors. eta vs tors. theta energy: -105.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1252.859306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.859306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.859306 (E_RNA) where: Base-Base interactions energy: -840.948 where: short stacking energy: -372.112 Base-Backbone interact. energy: -2.513 local terms energy: -409.397638 where: bonds (distance) C4'-P energy: -87.268 bonds (distance) P-C4' energy: -64.676 flat angles C4'-P-C4' energy: -92.224 flat angles P-C4'-P energy: -66.962 tors. eta vs tors. theta energy: -98.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -948.620637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.620637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.620637 (E_RNA) where: Base-Base interactions energy: -610.911 where: short stacking energy: -302.555 Base-Backbone interact. energy: -1.073 local terms energy: -336.637571 where: bonds (distance) C4'-P energy: -75.650 bonds (distance) P-C4' energy: -80.007 flat angles C4'-P-C4' energy: -72.061 flat angles P-C4'-P energy: -48.606 tors. eta vs tors. theta energy: -60.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -778.670846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.670846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.670846 (E_RNA) where: Base-Base interactions energy: -447.546 where: short stacking energy: -227.515 Base-Backbone interact. energy: -1.524 local terms energy: -329.600626 where: bonds (distance) C4'-P energy: -79.153 bonds (distance) P-C4' energy: -74.620 flat angles C4'-P-C4' energy: -72.249 flat angles P-C4'-P energy: -64.573 tors. eta vs tors. theta energy: -39.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -651.472447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.472447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.472447 (E_RNA) where: Base-Base interactions energy: -382.153 where: short stacking energy: -227.188 Base-Backbone interact. energy: -0.108 local terms energy: -269.210770 where: bonds (distance) C4'-P energy: -74.864 bonds (distance) P-C4' energy: -72.283 flat angles C4'-P-C4' energy: -64.651 flat angles P-C4'-P energy: -43.889 tors. eta vs tors. theta energy: -13.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -429.625487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.625487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.625487 (E_RNA) where: Base-Base interactions energy: -181.476 where: short stacking energy: -112.007 Base-Backbone interact. energy: -0.067 local terms energy: -248.082294 where: bonds (distance) C4'-P energy: -60.482 bonds (distance) P-C4' energy: -86.547 flat angles C4'-P-C4' energy: -63.893 flat angles P-C4'-P energy: -43.566 tors. eta vs tors. theta energy: 6.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1720.777635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.777635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.777635 (E_RNA) where: Base-Base interactions energy: -1176.216 where: short stacking energy: -533.329 Base-Backbone interact. energy: -1.243 local terms energy: -543.317990 where: bonds (distance) C4'-P energy: -87.641 bonds (distance) P-C4' energy: -97.868 flat angles C4'-P-C4' energy: -116.557 flat angles P-C4'-P energy: -77.605 tors. eta vs tors. theta energy: -163.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1623.538452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.538452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.538452 (E_RNA) where: Base-Base interactions energy: -1107.612 where: short stacking energy: -483.149 Base-Backbone interact. energy: -3.033 local terms energy: -512.893493 where: bonds (distance) C4'-P energy: -91.020 bonds (distance) P-C4' energy: -101.333 flat angles C4'-P-C4' energy: -105.074 flat angles P-C4'-P energy: -68.648 tors. eta vs tors. theta energy: -146.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -1597.433297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.433297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.433297 (E_RNA) where: Base-Base interactions energy: -1081.383 where: short stacking energy: -492.510 Base-Backbone interact. energy: -1.615 local terms energy: -514.434680 where: bonds (distance) C4'-P energy: -89.768 bonds (distance) P-C4' energy: -95.788 flat angles C4'-P-C4' energy: -109.436 flat angles P-C4'-P energy: -68.259 tors. eta vs tors. theta energy: -151.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -1468.655734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.655734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.655734 (E_RNA) where: Base-Base interactions energy: -987.203 where: short stacking energy: -457.309 Base-Backbone interact. energy: -0.743 local terms energy: -480.709230 where: bonds (distance) C4'-P energy: -84.621 bonds (distance) P-C4' energy: -87.025 flat angles C4'-P-C4' energy: -100.803 flat angles P-C4'-P energy: -72.369 tors. eta vs tors. theta energy: -135.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -1333.764110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.764110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.764110 (E_RNA) where: Base-Base interactions energy: -900.171 where: short stacking energy: -370.363 Base-Backbone interact. energy: -2.637 local terms energy: -430.956931 where: bonds (distance) C4'-P energy: -84.976 bonds (distance) P-C4' energy: -82.529 flat angles C4'-P-C4' energy: -83.893 flat angles P-C4'-P energy: -72.907 tors. eta vs tors. theta energy: -106.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1302.319189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.319189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.319189 (E_RNA) where: Base-Base interactions energy: -899.019 where: short stacking energy: -395.594 Base-Backbone interact. energy: 2.381 local terms energy: -405.680948 where: bonds (distance) C4'-P energy: -60.771 bonds (distance) P-C4' energy: -79.254 flat angles C4'-P-C4' energy: -100.336 flat angles P-C4'-P energy: -58.629 tors. eta vs tors. theta energy: -106.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -962.300216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.300216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.300216 (E_RNA) where: Base-Base interactions energy: -607.224 where: short stacking energy: -289.869 Base-Backbone interact. energy: 4.213 local terms energy: -359.288319 where: bonds (distance) C4'-P energy: -74.349 bonds (distance) P-C4' energy: -81.305 flat angles C4'-P-C4' energy: -92.406 flat angles P-C4'-P energy: -40.437 tors. eta vs tors. theta energy: -70.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -755.640371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.640371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.640371 (E_RNA) where: Base-Base interactions energy: -437.046 where: short stacking energy: -235.406 Base-Backbone interact. energy: 1.386 local terms energy: -319.979751 where: bonds (distance) C4'-P energy: -80.713 bonds (distance) P-C4' energy: -77.464 flat angles C4'-P-C4' energy: -75.123 flat angles P-C4'-P energy: -50.914 tors. eta vs tors. theta energy: -35.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -667.004554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.004554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.004554 (E_RNA) where: Base-Base interactions energy: -381.200 where: short stacking energy: -194.265 Base-Backbone interact. energy: -0.894 local terms energy: -284.911057 where: bonds (distance) C4'-P energy: -73.088 bonds (distance) P-C4' energy: -77.261 flat angles C4'-P-C4' energy: -67.945 flat angles P-C4'-P energy: -42.134 tors. eta vs tors. theta energy: -24.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -387.852212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -387.852212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -387.852212 (E_RNA) where: Base-Base interactions energy: -133.844 where: short stacking energy: -114.633 Base-Backbone interact. energy: 0.550 local terms energy: -254.558027 where: bonds (distance) C4'-P energy: -72.418 bonds (distance) P-C4' energy: -72.528 flat angles C4'-P-C4' energy: -83.913 flat angles P-C4'-P energy: -27.886 tors. eta vs tors. theta energy: 2.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1715.794114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.794114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.794114 (E_RNA) where: Base-Base interactions energy: -1173.466 where: short stacking energy: -527.863 Base-Backbone interact. energy: -0.313 local terms energy: -542.015136 where: bonds (distance) C4'-P energy: -93.755 bonds (distance) P-C4' energy: -99.985 flat angles C4'-P-C4' energy: -113.984 flat angles P-C4'-P energy: -70.872 tors. eta vs tors. theta energy: -163.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1642.849175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.849175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.849175 (E_RNA) where: Base-Base interactions energy: -1128.184 where: short stacking energy: -479.108 Base-Backbone interact. energy: -0.715 local terms energy: -513.950595 where: bonds (distance) C4'-P energy: -86.499 bonds (distance) P-C4' energy: -97.137 flat angles C4'-P-C4' energy: -98.001 flat angles P-C4'-P energy: -82.732 tors. eta vs tors. theta energy: -149.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -1595.218937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.218937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.218937 (E_RNA) where: Base-Base interactions energy: -1083.798 where: short stacking energy: -472.598 Base-Backbone interact. energy: -1.839 local terms energy: -509.581832 where: bonds (distance) C4'-P energy: -104.333 bonds (distance) P-C4' energy: -95.420 flat angles C4'-P-C4' energy: -101.540 flat angles P-C4'-P energy: -69.317 tors. eta vs tors. theta energy: -138.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -1464.373091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.373091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.373091 (E_RNA) where: Base-Base interactions energy: -975.373 where: short stacking energy: -464.068 Base-Backbone interact. energy: -0.224 local terms energy: -488.776149 where: bonds (distance) C4'-P energy: -70.747 bonds (distance) P-C4' energy: -90.081 flat angles C4'-P-C4' energy: -107.861 flat angles P-C4'-P energy: -74.378 tors. eta vs tors. theta energy: -145.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -1353.124910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.124910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.124910 (E_RNA) where: Base-Base interactions energy: -902.977 where: short stacking energy: -403.019 Base-Backbone interact. energy: -0.836 local terms energy: -449.312473 where: bonds (distance) C4'-P energy: -88.369 bonds (distance) P-C4' energy: -94.462 flat angles C4'-P-C4' energy: -86.801 flat angles P-C4'-P energy: -66.792 tors. eta vs tors. theta energy: -112.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -1302.653278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.653278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.653278 (E_RNA) where: Base-Base interactions energy: -873.052 where: short stacking energy: -387.914 Base-Backbone interact. energy: -0.587 local terms energy: -429.014513 where: bonds (distance) C4'-P energy: -73.118 bonds (distance) P-C4' energy: -81.846 flat angles C4'-P-C4' energy: -92.053 flat angles P-C4'-P energy: -67.063 tors. eta vs tors. theta energy: -114.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -912.669207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.669207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.669207 (E_RNA) where: Base-Base interactions energy: -555.929 where: short stacking energy: -260.347 Base-Backbone interact. energy: -1.977 local terms energy: -354.763412 where: bonds (distance) C4'-P energy: -81.539 bonds (distance) P-C4' energy: -82.021 flat angles C4'-P-C4' energy: -79.886 flat angles P-C4'-P energy: -53.411 tors. eta vs tors. theta energy: -57.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -721.544968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.544968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.544968 (E_RNA) where: Base-Base interactions energy: -390.221 where: short stacking energy: -208.976 Base-Backbone interact. energy: -1.588 local terms energy: -329.735724 where: bonds (distance) C4'-P energy: -72.931 bonds (distance) P-C4' energy: -93.916 flat angles C4'-P-C4' energy: -75.355 flat angles P-C4'-P energy: -54.456 tors. eta vs tors. theta energy: -33.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -762.906401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.906401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.906401 (E_RNA) where: Base-Base interactions energy: -447.459 where: short stacking energy: -215.575 Base-Backbone interact. energy: 2.714 local terms energy: -318.160983 where: bonds (distance) C4'-P energy: -68.645 bonds (distance) P-C4' energy: -84.478 flat angles C4'-P-C4' energy: -74.579 flat angles P-C4'-P energy: -55.379 tors. eta vs tors. theta energy: -35.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -397.603387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.603387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.603387 (E_RNA) where: Base-Base interactions energy: -155.717 where: short stacking energy: -121.247 Base-Backbone interact. energy: -1.144 local terms energy: -240.742116 where: bonds (distance) C4'-P energy: -65.734 bonds (distance) P-C4' energy: -84.786 flat angles C4'-P-C4' energy: -66.215 flat angles P-C4'-P energy: -33.793 tors. eta vs tors. theta energy: 9.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1709.743919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.743919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.743919 (E_RNA) where: Base-Base interactions energy: -1173.338 where: short stacking energy: -509.644 Base-Backbone interact. energy: -1.281 local terms energy: -535.125689 where: bonds (distance) C4'-P energy: -87.492 bonds (distance) P-C4' energy: -101.061 flat angles C4'-P-C4' energy: -116.102 flat angles P-C4'-P energy: -71.848 tors. eta vs tors. theta energy: -158.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1628.115445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.115445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.115445 (E_RNA) where: Base-Base interactions energy: -1107.926 where: short stacking energy: -479.755 Base-Backbone interact. energy: -2.012 local terms energy: -518.176671 where: bonds (distance) C4'-P energy: -97.652 bonds (distance) P-C4' energy: -94.587 flat angles C4'-P-C4' energy: -102.962 flat angles P-C4'-P energy: -76.700 tors. eta vs tors. theta energy: -146.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1560.483037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.483037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.483037 (E_RNA) where: Base-Base interactions energy: -1052.920 where: short stacking energy: -459.767 Base-Backbone interact. energy: -1.977 local terms energy: -505.586458 where: bonds (distance) C4'-P energy: -86.830 bonds (distance) P-C4' energy: -97.302 flat angles C4'-P-C4' energy: -103.290 flat angles P-C4'-P energy: -80.140 tors. eta vs tors. theta energy: -138.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -1464.326517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.326517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.326517 (E_RNA) where: Base-Base interactions energy: -992.358 where: short stacking energy: -455.353 Base-Backbone interact. energy: -0.778 local terms energy: -471.191405 where: bonds (distance) C4'-P energy: -76.167 bonds (distance) P-C4' energy: -89.474 flat angles C4'-P-C4' energy: -102.774 flat angles P-C4'-P energy: -68.941 tors. eta vs tors. theta energy: -133.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -1410.310787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.310787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.310787 (E_RNA) where: Base-Base interactions energy: -967.368 where: short stacking energy: -408.621 Base-Backbone interact. energy: -2.730 local terms energy: -440.212766 where: bonds (distance) C4'-P energy: -85.512 bonds (distance) P-C4' energy: -86.519 flat angles C4'-P-C4' energy: -88.907 flat angles P-C4'-P energy: -63.193 tors. eta vs tors. theta energy: -116.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1272.339187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.339187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.339187 (E_RNA) where: Base-Base interactions energy: -856.655 where: short stacking energy: -361.690 Base-Backbone interact. energy: -0.758 local terms energy: -414.925743 where: bonds (distance) C4'-P energy: -89.801 bonds (distance) P-C4' energy: -80.011 flat angles C4'-P-C4' energy: -97.633 flat angles P-C4'-P energy: -41.278 tors. eta vs tors. theta energy: -106.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -919.174158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.174158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.174158 (E_RNA) where: Base-Base interactions energy: -589.203 where: short stacking energy: -284.583 Base-Backbone interact. energy: -0.374 local terms energy: -329.597161 where: bonds (distance) C4'-P energy: -66.134 bonds (distance) P-C4' energy: -71.621 flat angles C4'-P-C4' energy: -82.210 flat angles P-C4'-P energy: -57.114 tors. eta vs tors. theta energy: -52.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -745.155470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.155470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.155470 (E_RNA) where: Base-Base interactions energy: -400.412 where: short stacking energy: -236.480 Base-Backbone interact. energy: 0.543 local terms energy: -345.286506 where: bonds (distance) C4'-P energy: -82.473 bonds (distance) P-C4' energy: -80.055 flat angles C4'-P-C4' energy: -85.471 flat angles P-C4'-P energy: -45.420 tors. eta vs tors. theta energy: -51.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -778.389234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.389234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.389234 (E_RNA) where: Base-Base interactions energy: -467.125 where: short stacking energy: -188.946 Base-Backbone interact. energy: -0.651 local terms energy: -310.613338 where: bonds (distance) C4'-P energy: -70.317 bonds (distance) P-C4' energy: -96.099 flat angles C4'-P-C4' energy: -63.222 flat angles P-C4'-P energy: -49.896 tors. eta vs tors. theta energy: -31.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -450.532618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.532618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.532618 (E_RNA) where: Base-Base interactions energy: -211.814 where: short stacking energy: -138.336 Base-Backbone interact. energy: 0.716 local terms energy: -239.434993 where: bonds (distance) C4'-P energy: -65.599 bonds (distance) P-C4' energy: -101.247 flat angles C4'-P-C4' energy: -49.842 flat angles P-C4'-P energy: -28.191 tors. eta vs tors. theta energy: 5.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1696.401296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.401296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.401296 (E_RNA) where: Base-Base interactions energy: -1176.155 where: short stacking energy: -489.783 Base-Backbone interact. energy: -1.415 local terms energy: -518.831375 where: bonds (distance) C4'-P energy: -97.887 bonds (distance) P-C4' energy: -84.951 flat angles C4'-P-C4' energy: -110.541 flat angles P-C4'-P energy: -65.852 tors. eta vs tors. theta energy: -159.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -1602.079758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.079758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.079758 (E_RNA) where: Base-Base interactions energy: -1090.258 where: short stacking energy: -493.040 Base-Backbone interact. energy: -3.064 local terms energy: -508.757262 where: bonds (distance) C4'-P energy: -99.470 bonds (distance) P-C4' energy: -94.344 flat angles C4'-P-C4' energy: -96.982 flat angles P-C4'-P energy: -75.211 tors. eta vs tors. theta energy: -142.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1618.879956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.879956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.879956 (E_RNA) where: Base-Base interactions energy: -1125.230 where: short stacking energy: -480.101 Base-Backbone interact. energy: -0.145 local terms energy: -493.504088 where: bonds (distance) C4'-P energy: -75.668 bonds (distance) P-C4' energy: -81.140 flat angles C4'-P-C4' energy: -105.669 flat angles P-C4'-P energy: -78.592 tors. eta vs tors. theta energy: -152.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1513.414068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.414068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.414068 (E_RNA) where: Base-Base interactions energy: -1011.874 where: short stacking energy: -490.371 Base-Backbone interact. energy: -1.317 local terms energy: -500.222587 where: bonds (distance) C4'-P energy: -82.262 bonds (distance) P-C4' energy: -98.206 flat angles C4'-P-C4' energy: -106.469 flat angles P-C4'-P energy: -68.921 tors. eta vs tors. theta energy: -144.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -1475.510770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.510770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.510770 (E_RNA) where: Base-Base interactions energy: -1026.961 where: short stacking energy: -426.825 Base-Backbone interact. energy: -0.398 local terms energy: -448.151423 where: bonds (distance) C4'-P energy: -84.293 bonds (distance) P-C4' energy: -68.025 flat angles C4'-P-C4' energy: -96.458 flat angles P-C4'-P energy: -73.549 tors. eta vs tors. theta energy: -125.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -1283.790210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.790210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.790210 (E_RNA) where: Base-Base interactions energy: -873.736 where: short stacking energy: -399.799 Base-Backbone interact. energy: -1.197 local terms energy: -408.857580 where: bonds (distance) C4'-P energy: -83.336 bonds (distance) P-C4' energy: -78.639 flat angles C4'-P-C4' energy: -94.817 flat angles P-C4'-P energy: -54.669 tors. eta vs tors. theta energy: -97.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -924.475314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.475314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.475314 (E_RNA) where: Base-Base interactions energy: -570.491 where: short stacking energy: -253.725 Base-Backbone interact. energy: -2.058 local terms energy: -351.926491 where: bonds (distance) C4'-P energy: -80.469 bonds (distance) P-C4' energy: -85.179 flat angles C4'-P-C4' energy: -87.587 flat angles P-C4'-P energy: -38.285 tors. eta vs tors. theta energy: -60.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -849.841217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.841217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.841217 (E_RNA) where: Base-Base interactions energy: -499.655 where: short stacking energy: -245.237 Base-Backbone interact. energy: -0.213 local terms energy: -349.973483 where: bonds (distance) C4'-P energy: -77.365 bonds (distance) P-C4' energy: -92.735 flat angles C4'-P-C4' energy: -77.814 flat angles P-C4'-P energy: -52.906 tors. eta vs tors. theta energy: -49.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -714.337906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.337906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.337906 (E_RNA) where: Base-Base interactions energy: -406.131 where: short stacking energy: -218.589 Base-Backbone interact. energy: -0.746 local terms energy: -307.460714 where: bonds (distance) C4'-P energy: -84.833 bonds (distance) P-C4' energy: -82.165 flat angles C4'-P-C4' energy: -67.441 flat angles P-C4'-P energy: -46.083 tors. eta vs tors. theta energy: -26.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -468.348279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -468.348279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -468.348279 (E_RNA) where: Base-Base interactions energy: -213.117 where: short stacking energy: -144.684 Base-Backbone interact. energy: 2.158 local terms energy: -257.388972 where: bonds (distance) C4'-P energy: -66.525 bonds (distance) P-C4' energy: -94.571 flat angles C4'-P-C4' energy: -73.460 flat angles P-C4'-P energy: -30.292 tors. eta vs tors. theta energy: 7.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1706.718223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.718223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.718223 (E_RNA) where: Base-Base interactions energy: -1175.333 where: short stacking energy: -499.837 Base-Backbone interact. energy: -2.991 local terms energy: -528.394394 where: bonds (distance) C4'-P energy: -93.028 bonds (distance) P-C4' energy: -94.332 flat angles C4'-P-C4' energy: -105.411 flat angles P-C4'-P energy: -75.124 tors. eta vs tors. theta energy: -160.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -1606.451193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.451193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.451193 (E_RNA) where: Base-Base interactions energy: -1091.371 where: short stacking energy: -471.457 Base-Backbone interact. energy: -1.340 local terms energy: -513.740329 where: bonds (distance) C4'-P energy: -96.551 bonds (distance) P-C4' energy: -97.680 flat angles C4'-P-C4' energy: -94.438 flat angles P-C4'-P energy: -75.754 tors. eta vs tors. theta energy: -149.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1606.085201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.085201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.085201 (E_RNA) where: Base-Base interactions energy: -1116.067 where: short stacking energy: -489.914 Base-Backbone interact. energy: -1.700 local terms energy: -488.318891 where: bonds (distance) C4'-P energy: -82.131 bonds (distance) P-C4' energy: -84.267 flat angles C4'-P-C4' energy: -101.966 flat angles P-C4'-P energy: -76.699 tors. eta vs tors. theta energy: -143.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -1499.124015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.124015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.124015 (E_RNA) where: Base-Base interactions energy: -1019.714 where: short stacking energy: -455.368 Base-Backbone interact. energy: -1.038 local terms energy: -478.372032 where: bonds (distance) C4'-P energy: -79.154 bonds (distance) P-C4' energy: -85.665 flat angles C4'-P-C4' energy: -98.508 flat angles P-C4'-P energy: -72.660 tors. eta vs tors. theta energy: -142.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -1477.398635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.398635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.398635 (E_RNA) where: Base-Base interactions energy: -1032.385 where: short stacking energy: -425.961 Base-Backbone interact. energy: 1.844 local terms energy: -446.857266 where: bonds (distance) C4'-P energy: -74.014 bonds (distance) P-C4' energy: -83.178 flat angles C4'-P-C4' energy: -99.547 flat angles P-C4'-P energy: -56.581 tors. eta vs tors. theta energy: -133.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -1264.611473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.611473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.611473 (E_RNA) where: Base-Base interactions energy: -864.721 where: short stacking energy: -373.972 Base-Backbone interact. energy: -1.361 local terms energy: -398.529030 where: bonds (distance) C4'-P energy: -73.569 bonds (distance) P-C4' energy: -69.670 flat angles C4'-P-C4' energy: -92.382 flat angles P-C4'-P energy: -55.888 tors. eta vs tors. theta energy: -107.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -885.721908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.721908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.721908 (E_RNA) where: Base-Base interactions energy: -527.879 where: short stacking energy: -255.532 Base-Backbone interact. energy: -2.232 local terms energy: -355.610014 where: bonds (distance) C4'-P energy: -65.935 bonds (distance) P-C4' energy: -95.131 flat angles C4'-P-C4' energy: -75.390 flat angles P-C4'-P energy: -53.834 tors. eta vs tors. theta energy: -65.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -853.276782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.276782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.276782 (E_RNA) where: Base-Base interactions energy: -550.063 where: short stacking energy: -250.772 Base-Backbone interact. energy: -0.069 local terms energy: -303.144683 where: bonds (distance) C4'-P energy: -52.331 bonds (distance) P-C4' energy: -82.750 flat angles C4'-P-C4' energy: -68.998 flat angles P-C4'-P energy: -48.403 tors. eta vs tors. theta energy: -50.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -632.658548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.658548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.658548 (E_RNA) where: Base-Base interactions energy: -327.951 where: short stacking energy: -187.693 Base-Backbone interact. energy: 1.696 local terms energy: -306.403354 where: bonds (distance) C4'-P energy: -91.840 bonds (distance) P-C4' energy: -88.017 flat angles C4'-P-C4' energy: -78.222 flat angles P-C4'-P energy: -41.889 tors. eta vs tors. theta energy: -6.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -489.424685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.424685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.424685 (E_RNA) where: Base-Base interactions energy: -254.360 where: short stacking energy: -155.642 Base-Backbone interact. energy: 2.704 local terms energy: -237.768816 where: bonds (distance) C4'-P energy: -61.945 bonds (distance) P-C4' energy: -72.834 flat angles C4'-P-C4' energy: -60.088 flat angles P-C4'-P energy: -47.463 tors. eta vs tors. theta energy: 4.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1718.652722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.652722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.652722 (E_RNA) where: Base-Base interactions energy: -1177.591 where: short stacking energy: -514.099 Base-Backbone interact. energy: -1.944 local terms energy: -539.117200 where: bonds (distance) C4'-P energy: -85.949 bonds (distance) P-C4' energy: -91.883 flat angles C4'-P-C4' energy: -112.898 flat angles P-C4'-P energy: -79.217 tors. eta vs tors. theta energy: -169.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -1629.376169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.376169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.376169 (E_RNA) where: Base-Base interactions energy: -1124.664 where: short stacking energy: -472.443 Base-Backbone interact. energy: -4.208 local terms energy: -500.504439 where: bonds (distance) C4'-P energy: -97.240 bonds (distance) P-C4' energy: -85.511 flat angles C4'-P-C4' energy: -103.009 flat angles P-C4'-P energy: -70.825 tors. eta vs tors. theta energy: -143.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1555.428591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.428591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.428591 (E_RNA) where: Base-Base interactions energy: -1048.391 where: short stacking energy: -458.683 Base-Backbone interact. energy: -1.483 local terms energy: -505.554329 where: bonds (distance) C4'-P energy: -82.052 bonds (distance) P-C4' energy: -102.020 flat angles C4'-P-C4' energy: -110.532 flat angles P-C4'-P energy: -64.092 tors. eta vs tors. theta energy: -146.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -1469.693748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.693748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.693748 (E_RNA) where: Base-Base interactions energy: -1015.369 where: short stacking energy: -447.781 Base-Backbone interact. energy: -3.430 local terms energy: -450.894945 where: bonds (distance) C4'-P energy: -92.524 bonds (distance) P-C4' energy: -88.529 flat angles C4'-P-C4' energy: -95.397 flat angles P-C4'-P energy: -63.785 tors. eta vs tors. theta energy: -110.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -1453.750621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.750621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.750621 (E_RNA) where: Base-Base interactions energy: -976.180 where: short stacking energy: -445.496 Base-Backbone interact. energy: -1.263 local terms energy: -476.306801 where: bonds (distance) C4'-P energy: -85.351 bonds (distance) P-C4' energy: -82.436 flat angles C4'-P-C4' energy: -101.786 flat angles P-C4'-P energy: -67.456 tors. eta vs tors. theta energy: -139.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -1237.058108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.058108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.058108 (E_RNA) where: Base-Base interactions energy: -822.280 where: short stacking energy: -365.594 Base-Backbone interact. energy: -0.300 local terms energy: -414.478249 where: bonds (distance) C4'-P energy: -78.908 bonds (distance) P-C4' energy: -84.604 flat angles C4'-P-C4' energy: -91.893 flat angles P-C4'-P energy: -61.154 tors. eta vs tors. theta energy: -97.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -840.810671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.810671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.810671 (E_RNA) where: Base-Base interactions energy: -498.626 where: short stacking energy: -237.846 Base-Backbone interact. energy: 0.061 local terms energy: -342.244985 where: bonds (distance) C4'-P energy: -97.807 bonds (distance) P-C4' energy: -84.585 flat angles C4'-P-C4' energy: -74.841 flat angles P-C4'-P energy: -40.210 tors. eta vs tors. theta energy: -44.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -852.259272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.259272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.259272 (E_RNA) where: Base-Base interactions energy: -521.029 where: short stacking energy: -261.081 Base-Backbone interact. energy: 1.775 local terms energy: -333.005712 where: bonds (distance) C4'-P energy: -75.973 bonds (distance) P-C4' energy: -75.111 flat angles C4'-P-C4' energy: -90.743 flat angles P-C4'-P energy: -35.818 tors. eta vs tors. theta energy: -55.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -609.427962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.427962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.427962 (E_RNA) where: Base-Base interactions energy: -333.554 where: short stacking energy: -196.075 Base-Backbone interact. energy: -0.141 local terms energy: -275.732431 where: bonds (distance) C4'-P energy: -70.196 bonds (distance) P-C4' energy: -75.130 flat angles C4'-P-C4' energy: -67.971 flat angles P-C4'-P energy: -45.438 tors. eta vs tors. theta energy: -16.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -496.722439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.722439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.722439 (E_RNA) where: Base-Base interactions energy: -246.549 where: short stacking energy: -144.939 Base-Backbone interact. energy: 1.179 local terms energy: -251.353188 where: bonds (distance) C4'-P energy: -70.936 bonds (distance) P-C4' energy: -86.615 flat angles C4'-P-C4' energy: -61.951 flat angles P-C4'-P energy: -28.079 tors. eta vs tors. theta energy: -3.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1721.876321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.876321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.876321 (E_RNA) where: Base-Base interactions energy: -1172.685 where: short stacking energy: -495.177 Base-Backbone interact. energy: -1.757 local terms energy: -547.434689 where: bonds (distance) C4'-P energy: -98.540 bonds (distance) P-C4' energy: -97.452 flat angles C4'-P-C4' energy: -112.808 flat angles P-C4'-P energy: -79.733 tors. eta vs tors. theta energy: -158.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1630.338671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.338671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.338671 (E_RNA) where: Base-Base interactions energy: -1116.348 where: short stacking energy: -483.750 Base-Backbone interact. energy: -3.181 local terms energy: -510.809402 where: bonds (distance) C4'-P energy: -78.150 bonds (distance) P-C4' energy: -102.514 flat angles C4'-P-C4' energy: -113.361 flat angles P-C4'-P energy: -72.331 tors. eta vs tors. theta energy: -144.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1571.022960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.022960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.022960 (E_RNA) where: Base-Base interactions energy: -1083.943 where: short stacking energy: -476.614 Base-Backbone interact. energy: -1.729 local terms energy: -485.350709 where: bonds (distance) C4'-P energy: -93.553 bonds (distance) P-C4' energy: -75.409 flat angles C4'-P-C4' energy: -103.262 flat angles P-C4'-P energy: -69.088 tors. eta vs tors. theta energy: -144.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -1474.794402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.794402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.794402 (E_RNA) where: Base-Base interactions energy: -1026.162 where: short stacking energy: -442.056 Base-Backbone interact. energy: -0.324 local terms energy: -448.308718 where: bonds (distance) C4'-P energy: -83.603 bonds (distance) P-C4' energy: -84.470 flat angles C4'-P-C4' energy: -96.445 flat angles P-C4'-P energy: -57.902 tors. eta vs tors. theta energy: -125.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -1446.641224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.641224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.641224 (E_RNA) where: Base-Base interactions energy: -983.222 where: short stacking energy: -440.630 Base-Backbone interact. energy: -1.114 local terms energy: -462.305676 where: bonds (distance) C4'-P energy: -89.055 bonds (distance) P-C4' energy: -87.097 flat angles C4'-P-C4' energy: -90.044 flat angles P-C4'-P energy: -62.593 tors. eta vs tors. theta energy: -133.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -1268.811948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.811948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.811948 (E_RNA) where: Base-Base interactions energy: -839.069 where: short stacking energy: -378.609 Base-Backbone interact. energy: -1.052 local terms energy: -428.690473 where: bonds (distance) C4'-P energy: -70.481 bonds (distance) P-C4' energy: -100.495 flat angles C4'-P-C4' energy: -94.658 flat angles P-C4'-P energy: -55.044 tors. eta vs tors. theta energy: -108.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -954.033200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.033200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.033200 (E_RNA) where: Base-Base interactions energy: -591.352 where: short stacking energy: -283.556 Base-Backbone interact. energy: -2.678 local terms energy: -360.003169 where: bonds (distance) C4'-P energy: -77.260 bonds (distance) P-C4' energy: -76.202 flat angles C4'-P-C4' energy: -79.454 flat angles P-C4'-P energy: -57.709 tors. eta vs tors. theta energy: -69.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -805.924214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.924214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.924214 (E_RNA) where: Base-Base interactions energy: -481.259 where: short stacking energy: -248.085 Base-Backbone interact. energy: 3.254 local terms energy: -327.919683 where: bonds (distance) C4'-P energy: -74.596 bonds (distance) P-C4' energy: -78.710 flat angles C4'-P-C4' energy: -76.032 flat angles P-C4'-P energy: -49.402 tors. eta vs tors. theta energy: -49.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -621.726686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.726686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.726686 (E_RNA) where: Base-Base interactions energy: -319.734 where: short stacking energy: -155.023 Base-Backbone interact. energy: 1.788 local terms energy: -303.780720 where: bonds (distance) C4'-P energy: -82.066 bonds (distance) P-C4' energy: -81.831 flat angles C4'-P-C4' energy: -74.886 flat angles P-C4'-P energy: -55.781 tors. eta vs tors. theta energy: -9.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -465.769040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.769040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.769040 (E_RNA) where: Base-Base interactions energy: -215.720 where: short stacking energy: -155.729 Base-Backbone interact. energy: 0.430 local terms energy: -250.478799 where: bonds (distance) C4'-P energy: -59.037 bonds (distance) P-C4' energy: -75.383 flat angles C4'-P-C4' energy: -74.049 flat angles P-C4'-P energy: -33.689 tors. eta vs tors. theta energy: -8.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1704.900017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.900017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.900017 (E_RNA) where: Base-Base interactions energy: -1188.355 where: short stacking energy: -518.003 Base-Backbone interact. energy: -1.631 local terms energy: -514.913954 where: bonds (distance) C4'-P energy: -85.191 bonds (distance) P-C4' energy: -98.258 flat angles C4'-P-C4' energy: -102.429 flat angles P-C4'-P energy: -70.490 tors. eta vs tors. theta energy: -158.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1624.141748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.141748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.141748 (E_RNA) where: Base-Base interactions energy: -1115.362 where: short stacking energy: -477.331 Base-Backbone interact. energy: -3.066 local terms energy: -505.714094 where: bonds (distance) C4'-P energy: -98.234 bonds (distance) P-C4' energy: -87.450 flat angles C4'-P-C4' energy: -98.277 flat angles P-C4'-P energy: -64.510 tors. eta vs tors. theta energy: -157.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -1574.249192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.249192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.249192 (E_RNA) where: Base-Base interactions energy: -1046.158 where: short stacking energy: -456.021 Base-Backbone interact. energy: -1.293 local terms energy: -526.797887 where: bonds (distance) C4'-P energy: -92.369 bonds (distance) P-C4' energy: -97.762 flat angles C4'-P-C4' energy: -108.172 flat angles P-C4'-P energy: -89.200 tors. eta vs tors. theta energy: -139.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -1490.354441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.354441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.354441 (E_RNA) where: Base-Base interactions energy: -1022.456 where: short stacking energy: -442.378 Base-Backbone interact. energy: -1.250 local terms energy: -466.648629 where: bonds (distance) C4'-P energy: -91.479 bonds (distance) P-C4' energy: -86.796 flat angles C4'-P-C4' energy: -100.184 flat angles P-C4'-P energy: -64.135 tors. eta vs tors. theta energy: -124.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -1415.157027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.157027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.157027 (E_RNA) where: Base-Base interactions energy: -947.618 where: short stacking energy: -436.714 Base-Backbone interact. energy: -1.152 local terms energy: -466.386329 where: bonds (distance) C4'-P energy: -91.593 bonds (distance) P-C4' energy: -71.234 flat angles C4'-P-C4' energy: -104.604 flat angles P-C4'-P energy: -57.503 tors. eta vs tors. theta energy: -141.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -1198.977531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.977531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.977531 (E_RNA) where: Base-Base interactions energy: -808.279 where: short stacking energy: -364.096 Base-Backbone interact. energy: -2.943 local terms energy: -387.756152 where: bonds (distance) C4'-P energy: -79.496 bonds (distance) P-C4' energy: -79.339 flat angles C4'-P-C4' energy: -81.090 flat angles P-C4'-P energy: -55.703 tors. eta vs tors. theta energy: -92.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -886.892384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.892384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.892384 (E_RNA) where: Base-Base interactions energy: -547.122 where: short stacking energy: -275.959 Base-Backbone interact. energy: 3.491 local terms energy: -343.261772 where: bonds (distance) C4'-P energy: -85.897 bonds (distance) P-C4' energy: -77.471 flat angles C4'-P-C4' energy: -78.173 flat angles P-C4'-P energy: -49.699 tors. eta vs tors. theta energy: -52.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -782.497587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.497587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.497587 (E_RNA) where: Base-Base interactions energy: -456.803 where: short stacking energy: -220.922 Base-Backbone interact. energy: -2.959 local terms energy: -322.736155 where: bonds (distance) C4'-P energy: -82.551 bonds (distance) P-C4' energy: -69.833 flat angles C4'-P-C4' energy: -71.749 flat angles P-C4'-P energy: -52.808 tors. eta vs tors. theta energy: -45.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -669.589730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.589730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.589730 (E_RNA) where: Base-Base interactions energy: -381.106 where: short stacking energy: -194.969 Base-Backbone interact. energy: -0.382 local terms energy: -288.102672 where: bonds (distance) C4'-P energy: -71.568 bonds (distance) P-C4' energy: -77.029 flat angles C4'-P-C4' energy: -77.415 flat angles P-C4'-P energy: -35.425 tors. eta vs tors. theta energy: -26.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -456.325970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.325970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.325970 (E_RNA) where: Base-Base interactions energy: -227.164 where: short stacking energy: -128.768 Base-Backbone interact. energy: 3.180 local terms energy: -232.341490 where: bonds (distance) C4'-P energy: -65.170 bonds (distance) P-C4' energy: -69.696 flat angles C4'-P-C4' energy: -75.346 flat angles P-C4'-P energy: -37.032 tors. eta vs tors. theta energy: 14.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1714.560484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.560484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.560484 (E_RNA) where: Base-Base interactions energy: -1170.987 where: short stacking energy: -516.861 Base-Backbone interact. energy: -0.925 local terms energy: -542.649003 where: bonds (distance) C4'-P energy: -99.221 bonds (distance) P-C4' energy: -91.261 flat angles C4'-P-C4' energy: -115.161 flat angles P-C4'-P energy: -75.736 tors. eta vs tors. theta energy: -161.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1636.877850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.877850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.877850 (E_RNA) where: Base-Base interactions energy: -1145.015 where: short stacking energy: -495.683 Base-Backbone interact. energy: 0.266 local terms energy: -492.129077 where: bonds (distance) C4'-P energy: -79.236 bonds (distance) P-C4' energy: -82.778 flat angles C4'-P-C4' energy: -115.680 flat angles P-C4'-P energy: -71.206 tors. eta vs tors. theta energy: -143.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1576.429967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.429967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.429967 (E_RNA) where: Base-Base interactions energy: -1083.172 where: short stacking energy: -457.985 Base-Backbone interact. energy: -2.227 local terms energy: -491.031088 where: bonds (distance) C4'-P energy: -90.021 bonds (distance) P-C4' energy: -74.591 flat angles C4'-P-C4' energy: -101.409 flat angles P-C4'-P energy: -85.842 tors. eta vs tors. theta energy: -139.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -1460.327763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.327763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.327763 (E_RNA) where: Base-Base interactions energy: -1001.927 where: short stacking energy: -429.449 Base-Backbone interact. energy: -3.035 local terms energy: -455.365621 where: bonds (distance) C4'-P energy: -76.975 bonds (distance) P-C4' energy: -88.237 flat angles C4'-P-C4' energy: -94.382 flat angles P-C4'-P energy: -63.468 tors. eta vs tors. theta energy: -132.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -1485.011072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.011072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.011072 (E_RNA) where: Base-Base interactions energy: -973.974 where: short stacking energy: -459.107 Base-Backbone interact. energy: -0.741 local terms energy: -510.295774 where: bonds (distance) C4'-P energy: -87.948 bonds (distance) P-C4' energy: -98.574 flat angles C4'-P-C4' energy: -101.827 flat angles P-C4'-P energy: -71.149 tors. eta vs tors. theta energy: -150.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -1198.219392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.219392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.219392 (E_RNA) where: Base-Base interactions energy: -806.241 where: short stacking energy: -363.116 Base-Backbone interact. energy: -2.320 local terms energy: -389.658641 where: bonds (distance) C4'-P energy: -78.239 bonds (distance) P-C4' energy: -84.588 flat angles C4'-P-C4' energy: -88.129 flat angles P-C4'-P energy: -55.148 tors. eta vs tors. theta energy: -83.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -881.345071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.345071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.345071 (E_RNA) where: Base-Base interactions energy: -539.533 where: short stacking energy: -284.345 Base-Backbone interact. energy: -0.099 local terms energy: -341.712325 where: bonds (distance) C4'-P energy: -78.783 bonds (distance) P-C4' energy: -72.797 flat angles C4'-P-C4' energy: -74.731 flat angles P-C4'-P energy: -51.332 tors. eta vs tors. theta energy: -64.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -826.191027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.191027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.191027 (E_RNA) where: Base-Base interactions energy: -521.313 where: short stacking energy: -252.824 Base-Backbone interact. energy: -0.083 local terms energy: -304.794184 where: bonds (distance) C4'-P energy: -64.177 bonds (distance) P-C4' energy: -78.677 flat angles C4'-P-C4' energy: -76.906 flat angles P-C4'-P energy: -42.863 tors. eta vs tors. theta energy: -42.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -643.171054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.171054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.171054 (E_RNA) where: Base-Base interactions energy: -371.535 where: short stacking energy: -194.524 Base-Backbone interact. energy: 0.121 local terms energy: -271.756783 where: bonds (distance) C4'-P energy: -77.888 bonds (distance) P-C4' energy: -73.934 flat angles C4'-P-C4' energy: -61.207 flat angles P-C4'-P energy: -35.827 tors. eta vs tors. theta energy: -22.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -448.613509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.613509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.613509 (E_RNA) where: Base-Base interactions energy: -198.732 where: short stacking energy: -103.160 Base-Backbone interact. energy: -3.385 local terms energy: -246.497012 where: bonds (distance) C4'-P energy: -80.305 bonds (distance) P-C4' energy: -72.759 flat angles C4'-P-C4' energy: -53.836 flat angles P-C4'-P energy: -44.037 tors. eta vs tors. theta energy: 4.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -1691.349281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.349281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.349281 (E_RNA) where: Base-Base interactions energy: -1157.675 where: short stacking energy: -518.768 Base-Backbone interact. energy: -1.636 local terms energy: -532.038482 where: bonds (distance) C4'-P energy: -97.522 bonds (distance) P-C4' energy: -92.307 flat angles C4'-P-C4' energy: -104.315 flat angles P-C4'-P energy: -76.755 tors. eta vs tors. theta energy: -161.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -1648.002690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.002690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.002690 (E_RNA) where: Base-Base interactions energy: -1127.253 where: short stacking energy: -485.753 Base-Backbone interact. energy: -3.576 local terms energy: -517.174008 where: bonds (distance) C4'-P energy: -100.286 bonds (distance) P-C4' energy: -92.727 flat angles C4'-P-C4' energy: -105.429 flat angles P-C4'-P energy: -68.417 tors. eta vs tors. theta energy: -150.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -1595.919848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.919848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.919848 (E_RNA) where: Base-Base interactions energy: -1093.726 where: short stacking energy: -474.606 Base-Backbone interact. energy: 1.348 local terms energy: -503.540944 where: bonds (distance) C4'-P energy: -100.904 bonds (distance) P-C4' energy: -88.880 flat angles C4'-P-C4' energy: -106.715 flat angles P-C4'-P energy: -63.954 tors. eta vs tors. theta energy: -143.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -1478.031158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.031158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.031158 (E_RNA) where: Base-Base interactions energy: -1002.114 where: short stacking energy: -431.890 Base-Backbone interact. energy: -0.742 local terms energy: -475.175654 where: bonds (distance) C4'-P energy: -81.848 bonds (distance) P-C4' energy: -94.540 flat angles C4'-P-C4' energy: -113.598 flat angles P-C4'-P energy: -65.509 tors. eta vs tors. theta energy: -119.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -1455.332441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.332441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.332441 (E_RNA) where: Base-Base interactions energy: -968.118 where: short stacking energy: -441.295 Base-Backbone interact. energy: 1.785 local terms energy: -488.999432 where: bonds (distance) C4'-P energy: -101.483 bonds (distance) P-C4' energy: -95.680 flat angles C4'-P-C4' energy: -101.776 flat angles P-C4'-P energy: -60.091 tors. eta vs tors. theta energy: -129.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -1266.106376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.106376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.106376 (E_RNA) where: Base-Base interactions energy: -846.692 where: short stacking energy: -392.197 Base-Backbone interact. energy: -1.767 local terms energy: -417.647155 where: bonds (distance) C4'-P energy: -76.321 bonds (distance) P-C4' energy: -73.100 flat angles C4'-P-C4' energy: -91.712 flat angles P-C4'-P energy: -68.531 tors. eta vs tors. theta energy: -107.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -958.945484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.945484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.945484 (E_RNA) where: Base-Base interactions energy: -627.958 where: short stacking energy: -285.591 Base-Backbone interact. energy: -3.914 local terms energy: -327.073982 where: bonds (distance) C4'-P energy: -70.735 bonds (distance) P-C4' energy: -74.388 flat angles C4'-P-C4' energy: -73.526 flat angles P-C4'-P energy: -49.930 tors. eta vs tors. theta energy: -58.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -795.468059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.468059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.468059 (E_RNA) where: Base-Base interactions energy: -480.860 where: short stacking energy: -253.776 Base-Backbone interact. energy: -1.356 local terms energy: -313.252074 where: bonds (distance) C4'-P energy: -68.345 bonds (distance) P-C4' energy: -74.030 flat angles C4'-P-C4' energy: -63.754 flat angles P-C4'-P energy: -52.918 tors. eta vs tors. theta energy: -54.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -643.560898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.560898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.560898 (E_RNA) where: Base-Base interactions energy: -347.061 where: short stacking energy: -191.503 Base-Backbone interact. energy: 2.077 local terms energy: -298.577379 where: bonds (distance) C4'-P energy: -67.368 bonds (distance) P-C4' energy: -82.318 flat angles C4'-P-C4' energy: -85.387 flat angles P-C4'-P energy: -32.632 tors. eta vs tors. theta energy: -30.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -434.052330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.052330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.052330 (E_RNA) where: Base-Base interactions energy: -204.004 where: short stacking energy: -124.310 Base-Backbone interact. energy: 1.281 local terms energy: -231.329309 where: bonds (distance) C4'-P energy: -67.947 bonds (distance) P-C4' energy: -83.934 flat angles C4'-P-C4' energy: -64.103 flat angles P-C4'-P energy: -27.149 tors. eta vs tors. theta energy: 11.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -1696.941432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.941432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.941432 (E_RNA) where: Base-Base interactions energy: -1180.624 where: short stacking energy: -501.905 Base-Backbone interact. energy: -1.664 local terms energy: -514.653505 where: bonds (distance) C4'-P energy: -81.420 bonds (distance) P-C4' energy: -87.628 flat angles C4'-P-C4' energy: -113.649 flat angles P-C4'-P energy: -76.807 tors. eta vs tors. theta energy: -155.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -1610.076125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.076125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.076125 (E_RNA) where: Base-Base interactions energy: -1101.138 where: short stacking energy: -478.292 Base-Backbone interact. energy: -2.534 local terms energy: -506.403711 where: bonds (distance) C4'-P energy: -83.988 bonds (distance) P-C4' energy: -92.643 flat angles C4'-P-C4' energy: -102.603 flat angles P-C4'-P energy: -73.129 tors. eta vs tors. theta energy: -154.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -1618.002680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.002680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.002680 (E_RNA) where: Base-Base interactions energy: -1117.851 where: short stacking energy: -476.149 Base-Backbone interact. energy: -2.640 local terms energy: -497.511595 where: bonds (distance) C4'-P energy: -92.650 bonds (distance) P-C4' energy: -85.180 flat angles C4'-P-C4' energy: -106.440 flat angles P-C4'-P energy: -63.080 tors. eta vs tors. theta energy: -150.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -1445.844691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.844691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.844691 (E_RNA) where: Base-Base interactions energy: -982.652 where: short stacking energy: -424.142 Base-Backbone interact. energy: -2.478 local terms energy: -460.715379 where: bonds (distance) C4'-P energy: -75.783 bonds (distance) P-C4' energy: -98.470 flat angles C4'-P-C4' energy: -100.955 flat angles P-C4'-P energy: -69.161 tors. eta vs tors. theta energy: -116.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -1402.077898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.077898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.077898 (E_RNA) where: Base-Base interactions energy: -958.866 where: short stacking energy: -439.434 Base-Backbone interact. energy: -1.735 local terms energy: -441.476902 where: bonds (distance) C4'-P energy: -76.001 bonds (distance) P-C4' energy: -78.866 flat angles C4'-P-C4' energy: -102.714 flat angles P-C4'-P energy: -58.241 tors. eta vs tors. theta energy: -125.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -1260.242774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1260.242774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1260.242774 (E_RNA) where: Base-Base interactions energy: -855.923 where: short stacking energy: -353.807 Base-Backbone interact. energy: -1.273 local terms energy: -403.047293 where: bonds (distance) C4'-P energy: -71.575 bonds (distance) P-C4' energy: -78.086 flat angles C4'-P-C4' energy: -100.165 flat angles P-C4'-P energy: -57.258 tors. eta vs tors. theta energy: -95.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -963.276736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.276736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.276736 (E_RNA) where: Base-Base interactions energy: -598.527 where: short stacking energy: -272.172 Base-Backbone interact. energy: 2.024 local terms energy: -366.773448 where: bonds (distance) C4'-P energy: -77.616 bonds (distance) P-C4' energy: -92.445 flat angles C4'-P-C4' energy: -87.638 flat angles P-C4'-P energy: -48.839 tors. eta vs tors. theta energy: -60.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -800.177093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.177093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.177093 (E_RNA) where: Base-Base interactions energy: -462.690 where: short stacking energy: -202.952 Base-Backbone interact. energy: -2.604 local terms energy: -334.883778 where: bonds (distance) C4'-P energy: -76.122 bonds (distance) P-C4' energy: -83.055 flat angles C4'-P-C4' energy: -85.083 flat angles P-C4'-P energy: -49.673 tors. eta vs tors. theta energy: -40.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -643.973319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.973319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.973319 (E_RNA) where: Base-Base interactions energy: -357.475 where: short stacking energy: -176.755 Base-Backbone interact. energy: -1.410 local terms energy: -285.087835 where: bonds (distance) C4'-P energy: -67.505 bonds (distance) P-C4' energy: -84.429 flat angles C4'-P-C4' energy: -64.506 flat angles P-C4'-P energy: -41.354 tors. eta vs tors. theta energy: -27.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -430.142831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.142831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.142831 (E_RNA) where: Base-Base interactions energy: -170.416 where: short stacking energy: -127.387 Base-Backbone interact. energy: -2.476 local terms energy: -257.251533 where: bonds (distance) C4'-P energy: -83.088 bonds (distance) P-C4' energy: -73.781 flat angles C4'-P-C4' energy: -65.962 flat angles P-C4'-P energy: -42.691 tors. eta vs tors. theta energy: 8.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -1687.683156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.683156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.683156 (E_RNA) where: Base-Base interactions energy: -1174.632 where: short stacking energy: -511.779 Base-Backbone interact. energy: -1.376 local terms energy: -511.675110 where: bonds (distance) C4'-P energy: -89.192 bonds (distance) P-C4' energy: -80.123 flat angles C4'-P-C4' energy: -107.954 flat angles P-C4'-P energy: -71.578 tors. eta vs tors. theta energy: -162.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -1642.214277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.214277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.214277 (E_RNA) where: Base-Base interactions energy: -1126.439 where: short stacking energy: -484.048 Base-Backbone interact. energy: -3.981 local terms energy: -511.793703 where: bonds (distance) C4'-P energy: -87.903 bonds (distance) P-C4' energy: -86.484 flat angles C4'-P-C4' energy: -109.965 flat angles P-C4'-P energy: -70.473 tors. eta vs tors. theta energy: -156.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -1606.965827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.965827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.965827 (E_RNA) where: Base-Base interactions energy: -1098.701 where: short stacking energy: -483.396 Base-Backbone interact. energy: 1.780 local terms energy: -510.045250 where: bonds (distance) C4'-P energy: -82.556 bonds (distance) P-C4' energy: -93.371 flat angles C4'-P-C4' energy: -111.129 flat angles P-C4'-P energy: -68.393 tors. eta vs tors. theta energy: -154.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -1457.376413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.376413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.376413 (E_RNA) where: Base-Base interactions energy: -1021.659 where: short stacking energy: -463.772 Base-Backbone interact. energy: -1.200 local terms energy: -434.516941 where: bonds (distance) C4'-P energy: -82.119 bonds (distance) P-C4' energy: -72.030 flat angles C4'-P-C4' energy: -83.257 flat angles P-C4'-P energy: -59.721 tors. eta vs tors. theta energy: -137.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -1429.165556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.165556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.165556 (E_RNA) where: Base-Base interactions energy: -979.255 where: short stacking energy: -410.195 Base-Backbone interact. energy: -0.739 local terms energy: -449.170849 where: bonds (distance) C4'-P energy: -85.033 bonds (distance) P-C4' energy: -85.042 flat angles C4'-P-C4' energy: -97.631 flat angles P-C4'-P energy: -61.444 tors. eta vs tors. theta energy: -120.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -1235.416052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.416052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.416052 (E_RNA) where: Base-Base interactions energy: -816.758 where: short stacking energy: -375.134 Base-Backbone interact. energy: -2.680 local terms energy: -415.978154 where: bonds (distance) C4'-P energy: -76.013 bonds (distance) P-C4' energy: -80.101 flat angles C4'-P-C4' energy: -93.356 flat angles P-C4'-P energy: -60.372 tors. eta vs tors. theta energy: -106.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -1024.802826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.802826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.802826 (E_RNA) where: Base-Base interactions energy: -652.148 where: short stacking energy: -295.176 Base-Backbone interact. energy: -1.179 local terms energy: -371.476152 where: bonds (distance) C4'-P energy: -87.036 bonds (distance) P-C4' energy: -72.799 flat angles C4'-P-C4' energy: -81.792 flat angles P-C4'-P energy: -56.133 tors. eta vs tors. theta energy: -73.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -765.312405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.312405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.312405 (E_RNA) where: Base-Base interactions energy: -433.412 where: short stacking energy: -209.403 Base-Backbone interact. energy: -2.223 local terms energy: -329.677781 where: bonds (distance) C4'-P energy: -77.388 bonds (distance) P-C4' energy: -83.072 flat angles C4'-P-C4' energy: -75.943 flat angles P-C4'-P energy: -55.675 tors. eta vs tors. theta energy: -37.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -650.293748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.293748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.293748 (E_RNA) where: Base-Base interactions energy: -374.626 where: short stacking energy: -203.131 Base-Backbone interact. energy: 2.650 local terms energy: -278.317101 where: bonds (distance) C4'-P energy: -66.008 bonds (distance) P-C4' energy: -91.469 flat angles C4'-P-C4' energy: -74.243 flat angles P-C4'-P energy: -37.687 tors. eta vs tors. theta energy: -8.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -372.924606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.924606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.924606 (E_RNA) where: Base-Base interactions energy: -140.985 where: short stacking energy: -121.858 Base-Backbone interact. energy: -0.080 local terms energy: -231.859615 where: bonds (distance) C4'-P energy: -66.760 bonds (distance) P-C4' energy: -74.624 flat angles C4'-P-C4' energy: -60.374 flat angles P-C4'-P energy: -45.386 tors. eta vs tors. theta energy: 15.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -1712.337571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.337571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.337571 (E_RNA) where: Base-Base interactions energy: -1179.710 where: short stacking energy: -499.439 Base-Backbone interact. energy: -2.236 local terms energy: -530.392120 where: bonds (distance) C4'-P energy: -98.153 bonds (distance) P-C4' energy: -90.429 flat angles C4'-P-C4' energy: -108.224 flat angles P-C4'-P energy: -74.150 tors. eta vs tors. theta energy: -159.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -1618.217332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.217332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.217332 (E_RNA) where: Base-Base interactions energy: -1103.789 where: short stacking energy: -497.677 Base-Backbone interact. energy: -0.902 local terms energy: -513.526516 where: bonds (distance) C4'-P energy: -97.280 bonds (distance) P-C4' energy: -94.518 flat angles C4'-P-C4' energy: -109.255 flat angles P-C4'-P energy: -64.278 tors. eta vs tors. theta energy: -148.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -1616.402609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.402609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.402609 (E_RNA) where: Base-Base interactions energy: -1105.809 where: short stacking energy: -500.727 Base-Backbone interact. energy: -3.409 local terms energy: -507.185177 where: bonds (distance) C4'-P energy: -86.000 bonds (distance) P-C4' energy: -93.007 flat angles C4'-P-C4' energy: -109.452 flat angles P-C4'-P energy: -63.557 tors. eta vs tors. theta energy: -155.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -1428.916490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.916490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.916490 (E_RNA) where: Base-Base interactions energy: -956.716 where: short stacking energy: -438.918 Base-Backbone interact. energy: -2.562 local terms energy: -469.638975 where: bonds (distance) C4'-P energy: -77.325 bonds (distance) P-C4' energy: -80.236 flat angles C4'-P-C4' energy: -99.783 flat angles P-C4'-P energy: -76.920 tors. eta vs tors. theta energy: -135.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -1457.535410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.535410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.535410 (E_RNA) where: Base-Base interactions energy: -1007.564 where: short stacking energy: -410.691 Base-Backbone interact. energy: -4.318 local terms energy: -445.653036 where: bonds (distance) C4'-P energy: -87.689 bonds (distance) P-C4' energy: -83.720 flat angles C4'-P-C4' energy: -88.069 flat angles P-C4'-P energy: -58.088 tors. eta vs tors. theta energy: -128.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -1175.373380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.373380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.373380 (E_RNA) where: Base-Base interactions energy: -757.615 where: short stacking energy: -336.820 Base-Backbone interact. energy: -0.587 local terms energy: -417.171581 where: bonds (distance) C4'-P energy: -75.297 bonds (distance) P-C4' energy: -84.124 flat angles C4'-P-C4' energy: -95.607 flat angles P-C4'-P energy: -68.511 tors. eta vs tors. theta energy: -93.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -1026.493167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.493167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.493167 (E_RNA) where: Base-Base interactions energy: -653.440 where: short stacking energy: -307.108 Base-Backbone interact. energy: -1.916 local terms energy: -371.137181 where: bonds (distance) C4'-P energy: -70.149 bonds (distance) P-C4' energy: -93.067 flat angles C4'-P-C4' energy: -90.601 flat angles P-C4'-P energy: -46.699 tors. eta vs tors. theta energy: -70.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -780.899211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.899211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.899211 (E_RNA) where: Base-Base interactions energy: -447.117 where: short stacking energy: -221.001 Base-Backbone interact. energy: -3.013 local terms energy: -330.768380 where: bonds (distance) C4'-P energy: -72.242 bonds (distance) P-C4' energy: -89.060 flat angles C4'-P-C4' energy: -81.921 flat angles P-C4'-P energy: -48.179 tors. eta vs tors. theta energy: -39.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -627.214148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.214148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.214148 (E_RNA) where: Base-Base interactions energy: -340.266 where: short stacking energy: -177.556 Base-Backbone interact. energy: 1.947 local terms energy: -288.895572 where: bonds (distance) C4'-P energy: -68.394 bonds (distance) P-C4' energy: -81.771 flat angles C4'-P-C4' energy: -78.545 flat angles P-C4'-P energy: -41.547 tors. eta vs tors. theta energy: -18.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -356.710195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -356.710195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -356.710195 (E_RNA) where: Base-Base interactions energy: -118.304 where: short stacking energy: -111.264 Base-Backbone interact. energy: -2.670 local terms energy: -235.735344 where: bonds (distance) C4'-P energy: -83.387 bonds (distance) P-C4' energy: -80.272 flat angles C4'-P-C4' energy: -64.454 flat angles P-C4'-P energy: -31.399 tors. eta vs tors. theta energy: 23.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -1712.519269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.519269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.519269 (E_RNA) where: Base-Base interactions energy: -1173.847 where: short stacking energy: -501.537 Base-Backbone interact. energy: -1.107 local terms energy: -537.565227 where: bonds (distance) C4'-P energy: -98.034 bonds (distance) P-C4' energy: -91.742 flat angles C4'-P-C4' energy: -110.138 flat angles P-C4'-P energy: -77.372 tors. eta vs tors. theta energy: -160.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -1631.693702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.693702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.693702 (E_RNA) where: Base-Base interactions energy: -1114.319 where: short stacking energy: -503.551 Base-Backbone interact. energy: -2.363 local terms energy: -515.011270 where: bonds (distance) C4'-P energy: -87.964 bonds (distance) P-C4' energy: -90.318 flat angles C4'-P-C4' energy: -111.509 flat angles P-C4'-P energy: -71.970 tors. eta vs tors. theta energy: -153.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -1559.914797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.914797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.914797 (E_RNA) where: Base-Base interactions energy: -1077.323 where: short stacking energy: -460.628 Base-Backbone interact. energy: -2.354 local terms energy: -480.238594 where: bonds (distance) C4'-P energy: -84.449 bonds (distance) P-C4' energy: -77.009 flat angles C4'-P-C4' energy: -102.156 flat angles P-C4'-P energy: -72.610 tors. eta vs tors. theta energy: -144.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -1507.590247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.590247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.590247 (E_RNA) where: Base-Base interactions energy: -1030.149 where: short stacking energy: -450.263 Base-Backbone interact. energy: -1.285 local terms energy: -476.156265 where: bonds (distance) C4'-P energy: -90.576 bonds (distance) P-C4' energy: -89.657 flat angles C4'-P-C4' energy: -102.570 flat angles P-C4'-P energy: -62.046 tors. eta vs tors. theta energy: -131.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -1392.033011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.033011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.033011 (E_RNA) where: Base-Base interactions energy: -918.093 where: short stacking energy: -425.629 Base-Backbone interact. energy: -0.018 local terms energy: -473.922737 where: bonds (distance) C4'-P energy: -85.484 bonds (distance) P-C4' energy: -91.116 flat angles C4'-P-C4' energy: -104.640 flat angles P-C4'-P energy: -64.171 tors. eta vs tors. theta energy: -128.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -1219.785439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.785439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.785439 (E_RNA) where: Base-Base interactions energy: -806.998 where: short stacking energy: -369.259 Base-Backbone interact. energy: -2.065 local terms energy: -410.722820 where: bonds (distance) C4'-P energy: -71.568 bonds (distance) P-C4' energy: -84.350 flat angles C4'-P-C4' energy: -89.681 flat angles P-C4'-P energy: -75.368 tors. eta vs tors. theta energy: -89.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -1003.933512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.933512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.933512 (E_RNA) where: Base-Base interactions energy: -647.976 where: short stacking energy: -301.778 Base-Backbone interact. energy: -0.200 local terms energy: -355.757686 where: bonds (distance) C4'-P energy: -80.617 bonds (distance) P-C4' energy: -78.617 flat angles C4'-P-C4' energy: -91.989 flat angles P-C4'-P energy: -34.120 tors. eta vs tors. theta energy: -70.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -806.265923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.265923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.265923 (E_RNA) where: Base-Base interactions energy: -483.123 where: short stacking energy: -230.212 Base-Backbone interact. energy: -2.952 local terms energy: -320.191246 where: bonds (distance) C4'-P energy: -84.543 bonds (distance) P-C4' energy: -70.448 flat angles C4'-P-C4' energy: -75.607 flat angles P-C4'-P energy: -51.683 tors. eta vs tors. theta energy: -37.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -639.230878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.230878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.230878 (E_RNA) where: Base-Base interactions energy: -343.432 where: short stacking energy: -178.191 Base-Backbone interact. energy: 7.287 local terms energy: -303.085755 where: bonds (distance) C4'-P energy: -71.153 bonds (distance) P-C4' energy: -66.459 flat angles C4'-P-C4' energy: -90.030 flat angles P-C4'-P energy: -51.839 tors. eta vs tors. theta energy: -23.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -396.102582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.102582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.102582 (E_RNA) where: Base-Base interactions energy: -146.975 where: short stacking energy: -125.005 Base-Backbone interact. energy: 1.518 local terms energy: -250.645372 where: bonds (distance) C4'-P energy: -74.885 bonds (distance) P-C4' energy: -81.572 flat angles C4'-P-C4' energy: -65.229 flat angles P-C4'-P energy: -48.279 tors. eta vs tors. theta energy: 19.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) replica 4 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 74739337 moves confirmed later: 81696514 all moves confirmed: 156435851 percent of confirmed moves: 19.554481 current total energy: -1590.590636 recalc. total energy: -1590.590636 replica 9 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 72587680 moves confirmed later: 79483258 all moves confirmed: 152070938 percent of confirmed moves: 19.008867 current total energy: -1612.346236 recalc. total energy: -1612.346236 replica 2 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 103417785 moves confirmed later: 118859160 all moves confirmed: 222276945 percent of confirmed moves: 27.784618 current total energy: -1492.606069 recalc. total energy: -1492.606069 replica 8 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 82785981 moves confirmed later: 91904641 all moves confirmed: 174690622 percent of confirmed moves: 21.836328 current total energy: -1376.575541 recalc. total energy: -1376.575541 replica 5 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 103385857 moves confirmed later: 118786683 all moves confirmed: 222172540 percent of confirmed moves: 27.771567 current total energy: -1224.037057 recalc. total energy: -1224.037057 replica 1 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 92748375 moves confirmed later: 105330019 all moves confirmed: 198078394 percent of confirmed moves: 24.759799 current total energy: -1064.055344 recalc. total energy: -1064.055344 replica 6 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 90535526 moves confirmed later: 102297616 all moves confirmed: 192833142 percent of confirmed moves: 24.104143 current total energy: -846.814326 recalc. total energy: -846.814326 replica 7 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 135851322 moves confirmed later: 161699211 all moves confirmed: 297550533 percent of confirmed moves: 37.193817 current total energy: -554.566728 recalc. total energy: -554.566728 replica 3 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 155161796 moves confirmed later: 186531563 all moves confirmed: 341693359 percent of confirmed moves: 42.711670 current total energy: -562.349753 recalc. total energy: -562.349753 replica 10 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 178759707 moves confirmed later: 217665100 all moves confirmed: 396424807 percent of confirmed moves: 49.553101 current total energy: -266.704176 recalc. total energy: -266.704176 out arg RESULTS//1/D2_RNA-6d2cf23a_01 Time of doing 8000000 iterations: 29357.097 seconds